[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene

C13H16 — CID 122384341

IUPAC[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
SMILESC[C@@H]1C=CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/t11-,13-/m1/s1
InChIKeyAYHBQWVNVPUXFU-DGCLKSJQSA-N
MW172.27 g/mol
LogP3.76
Rot. Bonds1

About [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene

[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene (PubChem CID 122384341) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene.

Molecular Properties

Compound Name[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
PubChem CID122384341
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
SMILESC[C@@H]1C=CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/t11-,13-/m1/s1
InChIKeyAYHBQWVNVPUXFU-DGCLKSJQSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-methylcyclopent-3-en-1-yl)benzene
CID 85085291
benzoic acid;(1S,5S)-5-phenylcyclohex-2-en-1-ol
CID 71408217
1-(5-methylcyclohex-3-en-1-yl)ethylbenzene
CID 123861513
N,3-dimethyl-5-phenylcyclohexan-1-amine
CID 115707725
benzene;cyclopropylbenzene
CID 144638417
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
(2R,4S)-2-methyl-4-phenyloxolane
CID 101336772
[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene
CID 89411404
lithium (3-methylcyclopentyl)benzene
CID 134993631
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
(3-methylcyclopentyl)benzene;propane
CID 142973096
CID 159076923
CID 159076923

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene?
The IUPAC name of [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene (CID 122384341) is [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene.
What is the SMILES notation for [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene?
The canonical SMILES for [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene is C[C@@H]1C=CC[C@@H](c2ccccc2)C1.
What is the InChIKey of [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene?
The InChIKey is AYHBQWVNVPUXFU-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-8,11,13H,9-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene?
[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene has a molecular weight of 172.27 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene is sourced from PubChem (CID 122384341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).