[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene

C17H22 — CID 134966809

IUPAC[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene
SMILESCC(C)=CCC1=CCC(c2ccccc2)CC1
InChIInChI=1S/C17H22/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16/h3-8,10,17H,9,11-13H2,1-2H3
InChIKeyNZXHQMATKYALDP-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.24
Rot. Bonds3

About [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene

[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene (PubChem CID 134966809) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene.

Molecular Properties

Compound Name[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene
PubChem CID134966809
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene
SMILESCC(C)=CCC1=CCC(c2ccccc2)CC1
InChIInChI=1S/C17H22/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16/h3-8,10,17H,9,11-13H2,1-2H3
InChIKeyNZXHQMATKYALDP-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.24
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

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CID 10563992
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CID 2163318
(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid
CID 134850934
N-[(4S)-4-phenylcyclohexen-1-yl]formamide
CID 86313094
(4-phenylcyclohexen-1-yl)sulfanylbenzene
CID 10945388
1-methyl-4-[4-[4-[[4-[4-(4-methylphenyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]phenyl]benzene
CID 139803571
8-(4-phenylcyclohexen-1-yl)-7-azabicyclo[4.2.0]octa-1,5-dien-7-amine
CID 90051248
1-(4-but-3-enylcyclohex-3-en-1-yl)-4-(4-ethylphenyl)benzene
CID 21464583
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
2-[4-(2-methoxyphenyl)cyclohexen-1-yl]acetic acid
CID 175497484
benzene;cyclopropylbenzene
CID 144638417
1-(4-phenylcyclohexylidene)propan-2-ol
CID 103971296

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene?
The IUPAC name of [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene (CID 134966809) is [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene.
What is the SMILES notation for [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene?
The canonical SMILES for [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene is CC(C)=CCC1=CCC(c2ccccc2)CC1.
What is the InChIKey of [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene?
The InChIKey is NZXHQMATKYALDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16/h3-8,10,17H,9,11-13H2,1-2H3.
What are the key properties of [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene?
[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene has a molecular weight of 226.36 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene is sourced from PubChem (CID 134966809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).