[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene

C16H18 — CID 123789812

IUPAC[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene
SMILESC=C(C)CC1C=C(c2ccccc2)C=C1C
InChIInChI=1S/C16H18/c1-12(2)9-15-11-16(10-13(15)3)14-7-5-4-6-8-14/h4-8,10-11,15H,1,9H2,2-3H3
InChIKeyBAJWAVVIBDNECF-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.61
Rot. Bonds3

About [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene

[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene (PubChem CID 123789812) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene.

Molecular Properties

Compound Name[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene
PubChem CID123789812
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene
SMILESC=C(C)CC1C=C(c2ccccc2)C=C1C
InChIInChI=1S/C16H18/c1-12(2)9-15-11-16(10-13(15)3)14-7-5-4-6-8-14/h4-8,10-11,15H,1,9H2,2-3H3
InChIKeyBAJWAVVIBDNECF-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.61
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

[3-(1-cyclopropyl-5,5-dimethyl-3-methylidenehexan-2-yl)-4-methylcyclopenta-1,4-dien-1-yl]benzene
CID 123589609
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
2-(1-chloro-2,6-dimethyl-4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 170991370
(2R)-4-(4-fluorophenyl)-2-(2-methylprop-2-enyl)-2H-furan-5-one
CID 164513794
1-(2,4-diphenylcyclopenta-2,4-dien-1-yl)sulfanylethenylbenzene
CID 102079091
acetic acid;1,1'-biphenyl;ethane
CID 91464981
bis(2-methylprop-1-ene);toluene
CID 158339604
acetic acid;1,1'-biphenyl;zinc
CID 70522083
(3-methyl-1-phenylbut-3-enyl) formate
CID 143506419
ethyl 2-(2,3-diphenylcycloprop-2-en-1-yl)acetate
CID 134888250
(2R)-2-(2-methylprop-2-enyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 164513778
5-methyl-1,3-diphenylcyclohexa-1,3-diene
CID 154531936

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene?
The IUPAC name of [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene (CID 123789812) is [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene.
What is the SMILES notation for [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene?
The canonical SMILES for [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene is C=C(C)CC1C=C(c2ccccc2)C=C1C.
What is the InChIKey of [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene?
The InChIKey is BAJWAVVIBDNECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12(2)9-15-11-16(10-13(15)3)14-7-5-4-6-8-14/h4-8,10-11,15H,1,9H2,2-3H3.
What are the key properties of [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene?
[4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(2-methylprop-2-enyl)cyclopenta-1,4-dien-1-yl]benzene is sourced from PubChem (CID 123789812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).