5-cyclohexylpentanoic acid;ethenyl acetate

C15H26O4 — CID 160870806

IUPAC5-cyclohexylpentanoic acid;ethenyl acetate
SMILESC=COC(C)=O.O=C(O)CCCCC1CCCCC1
InChIInChI=1S/C11H20O2.C4H6O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-3-6-4(2)5/h10H,1-9H2,(H,12,13);3H,1H2,2H3
InChIKeySLSPIAUUKAYJFL-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.90
Rot. Bonds6

About 5-cyclohexylpentanoic acid;ethenyl acetate

5-cyclohexylpentanoic acid;ethenyl acetate (PubChem CID 160870806) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-cyclohexylpentanoic acid;ethenyl acetate.

Molecular Properties

Compound Name5-cyclohexylpentanoic acid;ethenyl acetate
PubChem CID160870806
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name5-cyclohexylpentanoic acid;ethenyl acetate
SMILESC=COC(C)=O.O=C(O)CCCCC1CCCCC1
InChIInChI=1S/C11H20O2.C4H6O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-3-6-4(2)5/h10H,1-9H2,(H,12,13);3H,1H2,2H3
InChIKeySLSPIAUUKAYJFL-UHFFFAOYSA-N
XLogP3.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;ethenyl 4-cyclohexylbutanoate
CID 174796043
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19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
ethenyl 15-cyclohexylpentadecanoate
CID 141448465
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
8-cyclobutyloctanoic acid
CID 72551210
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylpentanoic acid;ethenyl acetate?
The IUPAC name of 5-cyclohexylpentanoic acid;ethenyl acetate (CID 160870806) is 5-cyclohexylpentanoic acid;ethenyl acetate.
What is the SMILES notation for 5-cyclohexylpentanoic acid;ethenyl acetate?
The canonical SMILES for 5-cyclohexylpentanoic acid;ethenyl acetate is C=COC(C)=O.O=C(O)CCCCC1CCCCC1.
What is the InChIKey of 5-cyclohexylpentanoic acid;ethenyl acetate?
The InChIKey is SLSPIAUUKAYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C4H6O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10;1-3-6-4(2)5/h10H,1-9H2,(H,12,13);3H,1H2,2H3.
What are the key properties of 5-cyclohexylpentanoic acid;ethenyl acetate?
5-cyclohexylpentanoic acid;ethenyl acetate has a molecular weight of 270.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylpentanoic acid;ethenyl acetate is sourced from PubChem (CID 160870806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).