(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene

C14H18 — CID 138964298

IUPAC(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene
SMILESCC1=CCCC1(C)Cc1ccccc1
InChIInChI=1S/C14H18/c1-12-7-6-10-14(12,2)11-13-8-4-3-5-9-13/h3-5,7-9H,6,10-11H2,1-2H3
InChIKeyHNHKQJXBENSUJG-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.98
Rot. Bonds2

About (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene

(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene (PubChem CID 138964298) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene.

Molecular Properties

Compound Name(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene
PubChem CID138964298
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene
SMILESCC1=CCCC1(C)Cc1ccccc1
InChIInChI=1S/C14H18/c1-12-7-6-10-14(12,2)11-13-8-4-3-5-9-13/h3-5,7-9H,6,10-11H2,1-2H3
InChIKeyHNHKQJXBENSUJG-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.98
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

(1,2-dimethylcyclopent-2-en-1-yl)benzene
CID 18943784
(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
[(1R,2E)-2-ethylidene-1-methylcyclopropyl]methylbenzene
CID 135084317
4-benzyl-4-fluorothiane
CID 84723196
N-(2-benzyl-2-methylcyclohexylidene)hydroxylamine
CID 71344449
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228
3-benzyl-3-methylpyrrolidine
CID 58254769
1-benzyl-2,2-dimethylcyclohexan-1-amine
CID 79836797
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
CID 59886573
CID 59886573

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene?
The IUPAC name of (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene (CID 138964298) is (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene.
What is the SMILES notation for (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene?
The canonical SMILES for (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene is CC1=CCCC1(C)Cc1ccccc1.
What is the InChIKey of (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene?
The InChIKey is HNHKQJXBENSUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-12-7-6-10-14(12,2)11-13-8-4-3-5-9-13/h3-5,7-9H,6,10-11H2,1-2H3.
What are the key properties of (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene?
(1,2-dimethylcyclopent-2-en-1-yl)methylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclopent-2-en-1-yl)methylbenzene is sourced from PubChem (CID 138964298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).