acetic acid;ethenyl 4-cyclohexylbutanoate

C14H24O4 — CID 174796043

IUPACacetic acid;ethenyl 4-cyclohexylbutanoate
SMILESC=COC(=O)CCCC1CCCCC1.CC(=O)O
InChIInChI=1S/C12H20O2.C2H4O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;1-2(3)4/h2,11H,1,3-10H2;1H3,(H,3,4)
InChIKeyXUEXGWFNLMDXSX-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.51
Rot. Bonds5

About acetic acid;ethenyl 4-cyclohexylbutanoate

acetic acid;ethenyl 4-cyclohexylbutanoate (PubChem CID 174796043) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is acetic acid;ethenyl 4-cyclohexylbutanoate.

Molecular Properties

Compound Nameacetic acid;ethenyl 4-cyclohexylbutanoate
PubChem CID174796043
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameacetic acid;ethenyl 4-cyclohexylbutanoate
SMILESC=COC(=O)CCCC1CCCCC1.CC(=O)O
InChIInChI=1S/C12H20O2.C2H4O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;1-2(3)4/h2,11H,1,3-10H2;1H3,(H,3,4)
InChIKeyXUEXGWFNLMDXSX-UHFFFAOYSA-N
XLogP3.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethenyl 15-cyclohexylpentadecanoate
CID 141448465
5-cyclohexylpentanoic acid;ethenyl acetate
CID 160870806
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
5-cyclopentylpentan-2-one
CID 18433881
acetic acid;ethenyl octadecanoate
CID 87067593
acetic acid;ethenyl 16,16-dimethylheptadecanoate
CID 174796170
acetic acid;ethenyl 23,23-dimethyltetracosanoate
CID 174796140
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985
chloro 11-cyclopentylundecanoate
CID 140562427
butyl 4-cyclopentylbutanoate
CID 175866077

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethenyl 4-cyclohexylbutanoate?
The IUPAC name of acetic acid;ethenyl 4-cyclohexylbutanoate (CID 174796043) is acetic acid;ethenyl 4-cyclohexylbutanoate.
What is the SMILES notation for acetic acid;ethenyl 4-cyclohexylbutanoate?
The canonical SMILES for acetic acid;ethenyl 4-cyclohexylbutanoate is C=COC(=O)CCCC1CCCCC1.CC(=O)O.
What is the InChIKey of acetic acid;ethenyl 4-cyclohexylbutanoate?
The InChIKey is XUEXGWFNLMDXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C2H4O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11;1-2(3)4/h2,11H,1,3-10H2;1H3,(H,3,4).
What are the key properties of acetic acid;ethenyl 4-cyclohexylbutanoate?
acetic acid;ethenyl 4-cyclohexylbutanoate has a molecular weight of 256.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethenyl 4-cyclohexylbutanoate is sourced from PubChem (CID 174796043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).