2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene

C14H18 — CID 142117671

IUPAC2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene
SMILESC[C@@H]1CC=C(CCc2ccccc2)C1
InChIInChI=1S/C14H18/c1-12-7-8-14(11-12)10-9-13-5-3-2-4-6-13/h2-6,8,12H,7,9-11H2,1H3/t12-/m1/s1
InChIKeyJRJKGSPLTKQBPZ-GFCCVEGCSA-N
MW186.30 g/mol
LogP3.98
Rot. Bonds3

About 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene

2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene (PubChem CID 142117671) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene.

Molecular Properties

Compound Name2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene
PubChem CID142117671
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene
SMILESC[C@@H]1CC=C(CCc2ccccc2)C1
InChIInChI=1S/C14H18/c1-12-7-8-14(11-12)10-9-13-5-3-2-4-6-13/h2-6,8,12H,7,9-11H2,1H3/t12-/m1/s1
InChIKeyJRJKGSPLTKQBPZ-GFCCVEGCSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene?
The IUPAC name of 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene (CID 142117671) is 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene.
What is the SMILES notation for 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene?
The canonical SMILES for 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene is C[C@@H]1CC=C(CCc2ccccc2)C1.
What is the InChIKey of 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene?
The InChIKey is JRJKGSPLTKQBPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18/c1-12-7-8-14(11-12)10-9-13-5-3-2-4-6-13/h2-6,8,12H,7,9-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene?
2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methylcyclopenten-1-yl]ethylbenzene is sourced from PubChem (CID 142117671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).