pentyl cyclopentene-1-carboxylate

C11H18O2 — CID 86197593

IUPACpentyl cyclopentene-1-carboxylate
SMILESCCCCCOC(=O)C1=CCCC1
InChIInChI=1S/C11H18O2/c1-2-3-6-9-13-11(12)10-7-4-5-8-10/h7H,2-6,8-9H2,1H3
InChIKeyHAMCXCGCWRFEAF-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds5

About pentyl cyclopentene-1-carboxylate

pentyl cyclopentene-1-carboxylate (PubChem CID 86197593) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is pentyl cyclopentene-1-carboxylate.

Molecular Properties

Compound Namepentyl cyclopentene-1-carboxylate
PubChem CID86197593
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namepentyl cyclopentene-1-carboxylate
SMILESCCCCCOC(=O)C1=CCCC1
InChIInChI=1S/C11H18O2/c1-2-3-6-9-13-11(12)10-7-4-5-8-10/h7H,2-6,8-9H2,1H3
InChIKeyHAMCXCGCWRFEAF-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-butoxyethenyl)cyclopentene
CID 14296313
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
butyl cyclobutene-1-carboxylate;ethenyl acetate
CID 87747316
cyclooctane;dioctyl benzene-1,2-dicarboxylate
CID 160957837
2-(cyclohexene-1-carbonyloxy)ethyl benzoate
CID 90721732
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
triheptyl benzene-1,3,5-tricarboxylate
CID 139819124
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
trihexadecyl benzene-1,3,5-tricarboxylate
CID 130473305
4-O-cyclobutyl 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740373
decyl 3,5-diaminobenzoate
CID 22501528
butyl 2,5-dihydro-1,2-thiazole-4-carboxylate
CID 139923011

Frequently Asked Questions

What is the IUPAC name of pentyl cyclopentene-1-carboxylate?
The IUPAC name of pentyl cyclopentene-1-carboxylate (CID 86197593) is pentyl cyclopentene-1-carboxylate.
What is the SMILES notation for pentyl cyclopentene-1-carboxylate?
The canonical SMILES for pentyl cyclopentene-1-carboxylate is CCCCCOC(=O)C1=CCCC1.
What is the InChIKey of pentyl cyclopentene-1-carboxylate?
The InChIKey is HAMCXCGCWRFEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-6-9-13-11(12)10-7-4-5-8-10/h7H,2-6,8-9H2,1H3.
What are the key properties of pentyl cyclopentene-1-carboxylate?
pentyl cyclopentene-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl cyclopentene-1-carboxylate is sourced from PubChem (CID 86197593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).