[(3R)-3-(cyclopenten-1-yl)heptyl]benzene

C18H26 — CID 72713164

IUPAC[(3R)-3-(cyclopenten-1-yl)heptyl]benzene
SMILESCCCC[C@H](CCc1ccccc1)C1=CCCC1
InChIInChI=1S/C18H26/c1-2-3-11-18(17-12-7-8-13-17)15-14-16-9-5-4-6-10-16/h4-6,9-10,12,18H,2-3,7-8,11,13-15H2,1H3/t18-/m1/s1
InChIKeySNHJBQSLHLCCCN-GOSISDBHSA-N
MW242.41 g/mol
LogP5.54
Rot. Bonds7

About [(3R)-3-(cyclopenten-1-yl)heptyl]benzene

[(3R)-3-(cyclopenten-1-yl)heptyl]benzene (PubChem CID 72713164) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is [(3R)-3-(cyclopenten-1-yl)heptyl]benzene.

Molecular Properties

Compound Name[(3R)-3-(cyclopenten-1-yl)heptyl]benzene
PubChem CID72713164
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name[(3R)-3-(cyclopenten-1-yl)heptyl]benzene
SMILESCCCC[C@H](CCc1ccccc1)C1=CCCC1
InChIInChI=1S/C18H26/c1-2-3-11-18(17-12-7-8-13-17)15-14-16-9-5-4-6-10-16/h4-6,9-10,12,18H,2-3,7-8,11,13-15H2,1H3/t18-/m1/s1
InChIKeySNHJBQSLHLCCCN-GOSISDBHSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.54
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-(cyclopenten-1-yl)pentan-1-amine
CID 62078864
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
CID 106657277
1-phenylheptan-3-ol
CID 10420110
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915
1-phenyl-N-propan-2-ylheptan-3-amine
CID 13159413
1-(cyclopenten-1-yl)-2-ethylhexan-1-ol
CID 62078740
1-phenyloctan-4-amine
CID 79413314
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
ethyl 4-(cyclohexen-1-yl)-5-phenylpentanoate
CID 10424123
(1S,2S)-N,N-dibenzyl-1-(cyclopenten-1-yl)-1-(tributylstannylmethoxy)propan-2-amine
CID 10746492
10-phenyltetradecan-5-ylbenzene
CID 22891787
1-(cyclopenten-1-yl)-N-ethylhexan-1-amine
CID 62080366

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopenten-1-yl)heptyl]benzene?
The IUPAC name of [(3R)-3-(cyclopenten-1-yl)heptyl]benzene (CID 72713164) is [(3R)-3-(cyclopenten-1-yl)heptyl]benzene.
What is the SMILES notation for [(3R)-3-(cyclopenten-1-yl)heptyl]benzene?
The canonical SMILES for [(3R)-3-(cyclopenten-1-yl)heptyl]benzene is CCCC[C@H](CCc1ccccc1)C1=CCCC1.
What is the InChIKey of [(3R)-3-(cyclopenten-1-yl)heptyl]benzene?
The InChIKey is SNHJBQSLHLCCCN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26/c1-2-3-11-18(17-12-7-8-13-17)15-14-16-9-5-4-6-10-16/h4-6,9-10,12,18H,2-3,7-8,11,13-15H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(cyclopenten-1-yl)heptyl]benzene?
[(3R)-3-(cyclopenten-1-yl)heptyl]benzene has a molecular weight of 242.41 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopenten-1-yl)heptyl]benzene is sourced from PubChem (CID 72713164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).