Text Search
Structure Search

1,4-dimethyl (1s,4s)-cyclohexane-1,4-dicarboxylate

1,4-dimethyl (1s,4s)-cyclohexane-1,4-dicarboxylate

CAS: 3399-21-1

Formula: C10H16O4

SMILES: COC(=O)[C@H]1CC[C@H](CC1)C(=O)OC

IUPAC: 1,4-dimethyl (1s,4s)-cyclohexane-1,4-dicarboxylate

InChI: InChI=1/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+

Composition: C (59.98%), H (8.05%), O (31.96%)

Molar Mass: 200.234

Atom Count: 30

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 200.104858995
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LNGAGQAGYITKCW-OCAPTIKFNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.62
Topological Polar Surface Area 52.6
Polarizability 20.01
Ring Count 1
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 3399-21-1 $55.17-$517.99$55.17$152.41$517.99
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 3399-21-1 $18.92-$177.80$18.92$27.74$68.09$177.80
Request Quote