3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene

C15H24 — CID 91748715

IUPAC3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene
SMILESC=C1C=CC([C@]2(C)CCCC2(C)C)CC1
InChIInChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8,13H,1,5,7,9-11H2,2-4H3/t13?,15-/m0/s1
InChIKeyQPXHUMFBJLASJO-WUJWULDRSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds1

About 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene

3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene (PubChem CID 91748715) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene.

Molecular Properties

Compound Name3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene
PubChem CID91748715
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene
SMILESC=C1C=CC([C@]2(C)CCCC2(C)C)CC1
InChIInChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8,13H,1,5,7,9-11H2,2-4H3/t13?,15-/m0/s1
InChIKeyQPXHUMFBJLASJO-WUJWULDRSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene?
The IUPAC name of 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene (CID 91748715) is 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene.
What is the SMILES notation for 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene?
The canonical SMILES for 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene is C=C1C=CC([C@]2(C)CCCC2(C)C)CC1.
What is the InChIKey of 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene?
The InChIKey is QPXHUMFBJLASJO-WUJWULDRSA-N. The full InChI is InChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8,13H,1,5,7,9-11H2,2-4H3/t13?,15-/m0/s1.
What are the key properties of 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene?
3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene is sourced from PubChem (CID 91748715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).