1-(5-methylcyclohex-3-en-1-yl)ethylbenzene

C15H20 — CID 123861513

IUPAC1-(5-methylcyclohex-3-en-1-yl)ethylbenzene
SMILESCC1C=CCC(C(C)c2ccccc2)C1
InChIInChI=1S/C15H20/c1-12-7-6-10-15(11-12)13(2)14-8-4-3-5-9-14/h3-9,12-13,15H,10-11H2,1-2H3
InChIKeySMBHOTOJNGNOCE-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.39
Rot. Bonds2

About 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene

1-(5-methylcyclohex-3-en-1-yl)ethylbenzene (PubChem CID 123861513) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene.

Molecular Properties

Compound Name1-(5-methylcyclohex-3-en-1-yl)ethylbenzene
PubChem CID123861513
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name1-(5-methylcyclohex-3-en-1-yl)ethylbenzene
SMILESCC1C=CCC(C(C)c2ccccc2)C1
InChIInChI=1S/C15H20/c1-12-7-6-10-15(11-12)13(2)14-8-4-3-5-9-14/h3-9,12-13,15H,10-11H2,1-2H3
InChIKeySMBHOTOJNGNOCE-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.39
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

[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
[(1R,5S)-5-methylcyclohex-3-en-1-yl]benzene
CID 122384341
(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
CID 10608189
3-(1-phenylethyl)azetidine-1-carbaldehyde
CID 175161452
3-(1-phenylethyl)oxolane
CID 150323599
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
ethanol;3-(1-phenylethyl)azetidine
CID 19888360
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
cumene
CID 161227923
1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
CID 154542947

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene?
The IUPAC name of 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene (CID 123861513) is 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene.
What is the SMILES notation for 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene?
The canonical SMILES for 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene is CC1C=CCC(C(C)c2ccccc2)C1.
What is the InChIKey of 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene?
The InChIKey is SMBHOTOJNGNOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-12-7-6-10-15(11-12)13(2)14-8-4-3-5-9-14/h3-9,12-13,15H,10-11H2,1-2H3.
What are the key properties of 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene?
1-(5-methylcyclohex-3-en-1-yl)ethylbenzene has a molecular weight of 200.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohex-3-en-1-yl)ethylbenzene is sourced from PubChem (CID 123861513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).