1-cyclohexyl-2-pent-4-enoxyethanone

C13H22O2 — CID 104752146

IUPAC1-cyclohexyl-2-pent-4-enoxyethanone
SMILESC=CCCCOCC(=O)C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-3-7-10-15-11-13(14)12-8-5-4-6-9-12/h2,12H,1,3-11H2
InChIKeyCCVOPEAVJKVCAP-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.12
Rot. Bonds7

About 1-cyclohexyl-2-pent-4-enoxyethanone

1-cyclohexyl-2-pent-4-enoxyethanone (PubChem CID 104752146) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-pent-4-enoxyethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-pent-4-enoxyethanone
PubChem CID104752146
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-cyclohexyl-2-pent-4-enoxyethanone
SMILESC=CCCCOCC(=O)C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-3-7-10-15-11-13(14)12-8-5-4-6-9-12/h2,12H,1,3-11H2
InChIKeyCCVOPEAVJKVCAP-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-Oxabicyclo[10.2.1]pentadec-1(14)-en-7-one
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4-(pent-4-enyl)-dihydro-2H-pyran-3(4H)-one
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Prop-2-enyl 2-cyclohexyl-2-oxoacetate
CID 70498254
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CID 123575713

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-pent-4-enoxyethanone?
The IUPAC name of 1-cyclohexyl-2-pent-4-enoxyethanone (CID 104752146) is 1-cyclohexyl-2-pent-4-enoxyethanone.
What is the SMILES notation for 1-cyclohexyl-2-pent-4-enoxyethanone?
The canonical SMILES for 1-cyclohexyl-2-pent-4-enoxyethanone is C=CCCCOCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-pent-4-enoxyethanone?
The InChIKey is CCVOPEAVJKVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-7-10-15-11-13(14)12-8-5-4-6-9-12/h2,12H,1,3-11H2.
What are the key properties of 1-cyclohexyl-2-pent-4-enoxyethanone?
1-cyclohexyl-2-pent-4-enoxyethanone has a molecular weight of 210.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-pent-4-enoxyethanone is sourced from PubChem (CID 104752146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).