(6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene

C16H24 — CID 12885845

IUPAC(6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene
SMILESCC1(C)C=C/C(=C2/C=CC(C)(C)CC2)CC1
InChIInChI=1S/C16H24/c1-15(2)9-5-13(6-10-15)14-7-11-16(3,4)12-8-14/h5,7,9,11H,6,8,10,12H2,1-4H3/b14-13+
InChIKeyFQYWWHKDKRKOFD-BUHFOSPRSA-N
MW216.37 g/mol
LogP5.04
Rot. Bonds

About (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene

(6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene (PubChem CID 12885845) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name(6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene
PubChem CID12885845
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene
SMILESCC1(C)C=C/C(=C2/C=CC(C)(C)CC2)CC1
InChIInChI=1S/C16H24/c1-15(2)9-5-13(6-10-15)14-7-11-16(3,4)12-8-14/h5,7,9,11H,6,8,10,12H2,1-4H3/b14-13+
InChIKeyFQYWWHKDKRKOFD-BUHFOSPRSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene?
The IUPAC name of (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene (CID 12885845) is (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene.
What is the SMILES notation for (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene?
The canonical SMILES for (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene is CC1(C)C=C/C(=C2/C=CC(C)(C)CC2)CC1.
What is the InChIKey of (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene?
The InChIKey is FQYWWHKDKRKOFD-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H24/c1-15(2)9-5-13(6-10-15)14-7-11-16(3,4)12-8-14/h5,7,9,11H,6,8,10,12H2,1-4H3/b14-13+.
What are the key properties of (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene?
(6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene has a molecular weight of 216.37 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene is sourced from PubChem (CID 12885845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).