[(E)-prop-1-enyl] cyclopentanecarboxylate

C9H14O2 — CID 118351667

IUPAC[(E)-prop-1-enyl] cyclopentanecarboxylate
SMILESC/C=C/OC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,7-8H,3-6H2,1H3/b7-2+
InChIKeyWPIUBYCTIFIBQD-FARCUNLSSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds2

About [(E)-prop-1-enyl] cyclopentanecarboxylate

[(E)-prop-1-enyl] cyclopentanecarboxylate (PubChem CID 118351667) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(E)-prop-1-enyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] cyclopentanecarboxylate
PubChem CID118351667
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(E)-prop-1-enyl] cyclopentanecarboxylate
SMILESC/C=C/OC(=O)C1CCCC1
InChIInChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,7-8H,3-6H2,1H3/b7-2+
InChIKeyWPIUBYCTIFIBQD-FARCUNLSSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Vinyl cyclopentanecarboxylate
CID 27905
Cyclopentanecarboxylic acid, allyl ester
CID 550225
Butyloxolon
CID 14322423
(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one
CID 102448097
Ethenyl 1-methylcyclopentane-1-carboxylate
CID 21161910
Prop-1-en-2-yl cyclopentanecarboxylate
CID 53431180
Ethenyl 3-methylhexanoate
CID 54041238
Ethenyl 3-methylcyclopentane-1-carboxylate
CID 70160267
Buta-1,2-dienyl 2-ethylhexanoate
CID 87098964
trans-[(E)-prop-1-enyl] (1S,2S)-2-methylcyclopentane-1-carboxylate
CID 89272591
Ethenyl 3-ethylhexanoate
CID 90403686
Ethenyl 4-ethylhexanoate
CID 137407816

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl] cyclopentanecarboxylate?
The IUPAC name of [(E)-prop-1-enyl] cyclopentanecarboxylate (CID 118351667) is [(E)-prop-1-enyl] cyclopentanecarboxylate.
What is the SMILES notation for [(E)-prop-1-enyl] cyclopentanecarboxylate?
The canonical SMILES for [(E)-prop-1-enyl] cyclopentanecarboxylate is C/C=C/OC(=O)C1CCCC1.
What is the InChIKey of [(E)-prop-1-enyl] cyclopentanecarboxylate?
The InChIKey is WPIUBYCTIFIBQD-FARCUNLSSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-11-9(10)8-5-3-4-6-8/h2,7-8H,3-6H2,1H3/b7-2+.
What are the key properties of [(E)-prop-1-enyl] cyclopentanecarboxylate?
[(E)-prop-1-enyl] cyclopentanecarboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl] cyclopentanecarboxylate is sourced from PubChem (CID 118351667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).