1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene

C15H20 — CID 167554926

IUPAC1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene
SMILESCC1=CC[C@@H](c2ccc(C)cc2)[C@H](C)C1
InChIInChI=1S/C15H20/c1-11-4-7-14(8-5-11)15-9-6-12(2)10-13(15)3/h4-8,13,15H,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyUOAKVNRUKPAFLX-UKRRQHHQSA-N
MW200.32 g/mol
LogP4.45
Rot. Bonds1

About 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene

1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene (PubChem CID 167554926) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene
PubChem CID167554926
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene
SMILESCC1=CC[C@@H](c2ccc(C)cc2)[C@H](C)C1
InChIInChI=1S/C15H20/c1-11-4-7-14(8-5-11)15-9-6-12(2)10-13(15)3/h4-8,13,15H,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyUOAKVNRUKPAFLX-UKRRQHHQSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.45
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 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene?
The IUPAC name of 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene (CID 167554926) is 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene?
The canonical SMILES for 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene is CC1=CC[C@@H](c2ccc(C)cc2)[C@H](C)C1.
What is the InChIKey of 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene?
The InChIKey is UOAKVNRUKPAFLX-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H20/c1-11-4-7-14(8-5-11)15-9-6-12(2)10-13(15)3/h4-8,13,15H,9-10H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene?
1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,6R)-4,6-dimethylcyclohex-3-en-1-yl]-4-methylbenzene is sourced from PubChem (CID 167554926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).