methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

CAS: 60456-21-5

Formula: C7H12O4

SMILES: COC(=O)[C@@H]1COC(C)(C)O1

IUPAC: methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

InChI: InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1

Composition: C (52.49%), H (7.55%), O (39.96%)

Molar Mass: 160.169

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	160.073558866
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DOWWCCDWPKGNGX-YFKPBYRVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.36
Topological Polar Surface Area	44.76
Polarizability	15.15
Ring Count	1
Rotatable Bond Count	2

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