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4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

CAS: 7779-30-8

Formula: C28H44O2

SMILES: CC1CCC(C)=C(C=CC(C)=O)C1(C)C.CC1CC=C(C)C(C=CC(C)=O)C1(C)C

IUPAC: 4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one

InChI: InChI=1/2C14H22O/c2*1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3;6,8-9,11,13H,7H2,1-5H3

Composition: C (81.50%), H (10.75%), O (7.75%)

Molar Mass: 412.658

Atom Count: 74

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 412.334130657
Formal Charge 0
FSP3 0.64
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RKTZPLZQQMADEW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.37
Topological Polar Surface Area 17.07
Polarizability 25.41
Ring Count 2
Rotatable Bond Count 4

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98% <14 Days 7779-30-8 Quote Only