3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene

C15H24 — CID 163048660

IUPAC3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene
SMILESCC1=CC[C@@H](C2=CC(C)(C)CCC2)CC1
InChIInChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h6,11,13H,4-5,7-10H2,1-3H3/t13-/m1/s1
InChIKeyDWOIVXBDBJQILB-CYBMUJFWSA-N
MW204.36 g/mol
LogP4.87
Rot. Bonds1

About 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene

3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene (PubChem CID 163048660) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene
PubChem CID163048660
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene
SMILESCC1=CC[C@@H](C2=CC(C)(C)CCC2)CC1
InChIInChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h6,11,13H,4-5,7-10H2,1-3H3/t13-/m1/s1
InChIKeyDWOIVXBDBJQILB-CYBMUJFWSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene?
The IUPAC name of 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene (CID 163048660) is 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene.
What is the SMILES notation for 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene?
The canonical SMILES for 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene is CC1=CC[C@@H](C2=CC(C)(C)CCC2)CC1.
What is the InChIKey of 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene?
The InChIKey is DWOIVXBDBJQILB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h6,11,13H,4-5,7-10H2,1-3H3/t13-/m1/s1.
What are the key properties of 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene?
3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]cyclohexene is sourced from PubChem (CID 163048660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).