(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene

C18H24 — CID 139667580

IUPAC(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene
SMILESCCCC1=C(CCC)C(C)=C(c2ccccc2)C1
InChIInChI=1S/C18H24/c1-4-9-16-13-18(14(3)17(16)10-5-2)15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13H2,1-3H3
InChIKeyRWYNKNOXJSWZKD-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.76
Rot. Bonds5

About (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene

(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene (PubChem CID 139667580) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene
PubChem CID139667580
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene
SMILESCCCC1=C(CCC)C(C)=C(c2ccccc2)C1
InChIInChI=1S/C18H24/c1-4-9-16-13-18(14(3)17(16)10-5-2)15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13H2,1-3H3
InChIKeyRWYNKNOXJSWZKD-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene 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-phenyl-4-propyl-2H-furan-5-one
CID 118283591
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
(2-decylcyclobuten-1-yl)benzene
CID 10825946
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
(4-butyl-2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 101414477
3-butyl-2-propyl-1H-indene
CID 141343467
1-methyl-2-phenyl-5-propylpyrrole
CID 145261316
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
4-chloro-2,3-dipropyl-1H-indene
CID 173085073
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
6-ethyl-4-phenyl-1,5-dihydropentalene
CID 15636400
3-methyl-2-(2-propylphenyl)-1H-indene
CID 173085124

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene (CID 139667580) is (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene is CCCC1=C(CCC)C(C)=C(c2ccccc2)C1.
What is the InChIKey of (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is RWYNKNOXJSWZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-4-9-16-13-18(14(3)17(16)10-5-2)15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13H2,1-3H3.
What are the key properties of (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene?
(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 240.39 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 139667580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).