1-methyl-4-(2-methylidenecyclopentyl)benzene

C13H16 — CID 166116595

IUPAC1-methyl-4-(2-methylidenecyclopentyl)benzene
SMILESC=C1CCCC1c1ccc(C)cc1
InChIInChI=1S/C13H16/c1-10-6-8-12(9-7-10)13-5-3-4-11(13)2/h6-9,13H,2-5H2,1H3
InChIKeyBGQVPCLNXZKDEV-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.82
Rot. Bonds1

About 1-methyl-4-(2-methylidenecyclopentyl)benzene

1-methyl-4-(2-methylidenecyclopentyl)benzene (PubChem CID 166116595) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methyl-4-(2-methylidenecyclopentyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-methylidenecyclopentyl)benzene
PubChem CID166116595
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-methyl-4-(2-methylidenecyclopentyl)benzene
SMILESC=C1CCCC1c1ccc(C)cc1
InChIInChI=1S/C13H16/c1-10-6-8-12(9-7-10)13-5-3-4-11(13)2/h6-9,13H,2-5H2,1H3
InChIKeyBGQVPCLNXZKDEV-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylidenecyclopentyl)benzene?
The IUPAC name of 1-methyl-4-(2-methylidenecyclopentyl)benzene (CID 166116595) is 1-methyl-4-(2-methylidenecyclopentyl)benzene.
What is the SMILES notation for 1-methyl-4-(2-methylidenecyclopentyl)benzene?
The canonical SMILES for 1-methyl-4-(2-methylidenecyclopentyl)benzene is C=C1CCCC1c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2-methylidenecyclopentyl)benzene?
The InChIKey is BGQVPCLNXZKDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-10-6-8-12(9-7-10)13-5-3-4-11(13)2/h6-9,13H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(2-methylidenecyclopentyl)benzene?
1-methyl-4-(2-methylidenecyclopentyl)benzene has a molecular weight of 172.27 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylidenecyclopentyl)benzene is sourced from PubChem (CID 166116595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).