1-(cyclopenten-1-yl)ethyl formate

C8H12O2 — CID 54445085

IUPAC1-(cyclopenten-1-yl)ethyl formate
SMILESCC(OC=O)C1=CCCC1
InChIInChI=1S/C8H12O2/c1-7(10-6-9)8-4-2-3-5-8/h4,6-7H,2-3,5H2,1H3
InChIKeyHRVSJFBSVBWHIQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds3

About 1-(cyclopenten-1-yl)ethyl formate

1-(cyclopenten-1-yl)ethyl formate (PubChem CID 54445085) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)ethyl formate.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)ethyl formate
PubChem CID54445085
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(cyclopenten-1-yl)ethyl formate
SMILESCC(OC=O)C1=CCCC1
InChIInChI=1S/C8H12O2/c1-7(10-6-9)8-4-2-3-5-8/h4,6-7H,2-3,5H2,1H3
InChIKeyHRVSJFBSVBWHIQ-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)ethyl methyl carbonate
CID 102371125
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
(2S)-2-bromo-2-(cyclohexen-1-yl)acetaldehyde
CID 134542892
1-pentan-2-ylcyclopentene
CID 21242449
1-(1-iodoethyl)cyclohexene
CID 126621262
3-methyl-3-propan-2-ylcyclopentene;1-propan-2-ylcyclopentene
CID 159109168
diethyl 2-[(1R)-1-(cyclohexen-1-yl)ethyl]propanedioate
CID 11129313
methyl (E,4R,5R)-5-(cyclopenten-1-yl)-5-methoxy-4-methylpent-2-enoate
CID 135071110
ethyl (2R)-3-(cyclohexen-1-yl)-2-hydroxybutanoate
CID 101090880
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
(1E,4Z)-1-propan-2-ylcycloocta-1,4-diene
CID 20800720
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)ethyl formate?
The IUPAC name of 1-(cyclopenten-1-yl)ethyl formate (CID 54445085) is 1-(cyclopenten-1-yl)ethyl formate.
What is the SMILES notation for 1-(cyclopenten-1-yl)ethyl formate?
The canonical SMILES for 1-(cyclopenten-1-yl)ethyl formate is CC(OC=O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)ethyl formate?
The InChIKey is HRVSJFBSVBWHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(10-6-9)8-4-2-3-5-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)ethyl formate?
1-(cyclopenten-1-yl)ethyl formate has a molecular weight of 140.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)ethyl formate is sourced from PubChem (CID 54445085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).