1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene

C18H20 — CID 144868277

IUPAC1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=CC(C)/C(=C3/C=CCC3)C2)cc1
InChIInChI=1S/C18H20/c1-13-7-9-15(10-8-13)17-11-14(2)18(12-17)16-5-3-4-6-16/h3,5,7-11,14H,4,6,12H2,1-2H3/b18-16-
InChIKeyHKTQSXBJYLDXEV-VLGSPTGOSA-N
MW236.36 g/mol
LogP5.06
Rot. Bonds1

About 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene

1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene (PubChem CID 144868277) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene
PubChem CID144868277
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=CC(C)/C(=C3/C=CCC3)C2)cc1
InChIInChI=1S/C18H20/c1-13-7-9-15(10-8-13)17-11-14(2)18(12-17)16-5-3-4-6-16/h3,5,7-11,14H,4,6,12H2,1-2H3/b18-16-
InChIKeyHKTQSXBJYLDXEV-VLGSPTGOSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylphenyl)-4,5-dihydro-1H-indene
CID 57241660
1-methyl-1,2,5,6-tetrahydronaphthalene
CID 90700254
platinum;1,4-xylene
CID 173034643
3-methyl-1,2,5,6-tetrahydronaphthalene;hydrofluoride
CID 144971731
7,10-dimethyl-1,2,9,10-tetrahydrophenanthrene
CID 144613246
3-methyl-3,4,7,8-tetrahydro-1H-isochromene
CID 145476057
7-methyl-1,2-dihydronaphthalene
CID 123252357
1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 144508719
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
CID 145163186
3,4,5,6,9,10-hexahydrophenanthrene
CID 123501640

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene?
The IUPAC name of 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene (CID 144868277) is 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene?
The canonical SMILES for 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene is Cc1ccc(C2=CC(C)/C(=C3/C=CCC3)C2)cc1.
What is the InChIKey of 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene?
The InChIKey is HKTQSXBJYLDXEV-VLGSPTGOSA-N. The full InChI is InChI=1S/C18H20/c1-13-7-9-15(10-8-13)17-11-14(2)18(12-17)16-5-3-4-6-16/h3,5,7-11,14H,4,6,12H2,1-2H3/b18-16-.
What are the key properties of 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene?
1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene has a molecular weight of 236.36 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-cyclopent-2-en-1-ylidene-3-methylcyclopenten-1-yl]-4-methylbenzene is sourced from PubChem (CID 144868277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).