1-pentan-2-ylcyclopentene

C10H18 — CID 21242449

IUPAC1-pentan-2-ylcyclopentene
SMILESCCCC(C)C1=CCCC1
InChIInChI=1S/C10H18/c1-3-6-9(2)10-7-4-5-8-10/h7,9H,3-6,8H2,1-2H3
InChIKeyPXYLFSKFDGXOIB-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds3

About 1-pentan-2-ylcyclopentene

1-pentan-2-ylcyclopentene (PubChem CID 21242449) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-pentan-2-ylcyclopentene.

Molecular Properties

Compound Name1-pentan-2-ylcyclopentene
PubChem CID21242449
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-pentan-2-ylcyclopentene
SMILESCCCC(C)C1=CCCC1
InChIInChI=1S/C10H18/c1-3-6-9(2)10-7-4-5-8-10/h7,9H,3-6,8H2,1-2H3
InChIKeyPXYLFSKFDGXOIB-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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-pentan-2-ylcyclobutene
CID 123526137
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclopenten-1-yl)pentan-1-amine
CID 62078864
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915
1-(cycloocten-1-yl)-2-methyl-N-propylpentan-1-amine
CID 106656618
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine
CID 107887258
1-(cyclopenten-1-yl)-2-ethylhexan-1-ol
CID 62078740
1-(cyclopenten-1-yl)-N-ethylhexan-1-amine
CID 62080366
1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
2-(cyclopenten-1-yl)butan-1-ol
CID 70396066

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylcyclopentene?
The IUPAC name of 1-pentan-2-ylcyclopentene (CID 21242449) is 1-pentan-2-ylcyclopentene.
What is the SMILES notation for 1-pentan-2-ylcyclopentene?
The canonical SMILES for 1-pentan-2-ylcyclopentene is CCCC(C)C1=CCCC1.
What is the InChIKey of 1-pentan-2-ylcyclopentene?
The InChIKey is PXYLFSKFDGXOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-6-9(2)10-7-4-5-8-10/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-pentan-2-ylcyclopentene?
1-pentan-2-ylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylcyclopentene is sourced from PubChem (CID 21242449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).