1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene

C14H18 — CID 164652657

IUPAC1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene
SMILESCCc1ccc(CC2CC=CC2)cc1
InChIInChI=1S/C14H18/c1-2-12-7-9-14(10-8-12)11-13-5-3-4-6-13/h3-4,7-10,13H,2,5-6,11H2,1H3
InChIKeyODZAPYDXZIRMKD-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.76
Rot. Bonds3

About 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene

1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene (PubChem CID 164652657) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene
PubChem CID164652657
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene
SMILESCCc1ccc(CC2CC=CC2)cc1
InChIInChI=1S/C14H18/c1-2-12-7-9-14(10-8-12)11-13-5-3-4-6-13/h3-4,7-10,13H,2,5-6,11H2,1H3
InChIKeyODZAPYDXZIRMKD-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
CID 159812681
1-(cyclohex-3-en-1-ylmethyl)-4-methylbenzene
CID 158604020
N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline
CID 58420731
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane;methane
CID 166131756
1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 2901953
2-[(4-ethylphenyl)methyl]-3-methyloxirane
CID 57300513
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63477593
1,4-diethylbenzene;oxoalumane
CID 174317758

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene?
The IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene (CID 164652657) is 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene?
The canonical SMILES for 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene is CCc1ccc(CC2CC=CC2)cc1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene?
The InChIKey is ODZAPYDXZIRMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-12-7-9-14(10-8-12)11-13-5-3-4-6-13/h3-4,7-10,13H,2,5-6,11H2,1H3.
What are the key properties of 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene?
1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene has a molecular weight of 186.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene is sourced from PubChem (CID 164652657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).