2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid

C15H24O4 — CID 67553278

IUPAC2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid
SMILESC=CCOC(=O)C(CCC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H24O4/c1-3-10-15(13(16)17,14(18)19-11-4-2)12-8-6-5-7-9-12/h4,12H,2-3,5-11H2,1H3,(H,16,17)
InChIKeyZGHWVPRKNSVTIP-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds7

About 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid

2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid (PubChem CID 67553278) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid
PubChem CID67553278
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid
SMILESC=CCOC(=O)C(CCC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H24O4/c1-3-10-15(13(16)17,14(18)19-11-4-2)12-8-6-5-7-9-12/h4,12H,2-3,5-11H2,1H3,(H,16,17)
InChIKeyZGHWVPRKNSVTIP-UHFFFAOYSA-N
XLogP3.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid?
The IUPAC name of 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid (CID 67553278) is 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid.
What is the SMILES notation for 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid?
The canonical SMILES for 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid is C=CCOC(=O)C(CCC)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid?
The InChIKey is ZGHWVPRKNSVTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-10-15(13(16)17,14(18)19-11-4-2)12-8-6-5-7-9-12/h4,12H,2-3,5-11H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid?
2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid has a molecular weight of 268.35 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-prop-2-enoxycarbonylpentanoic acid is sourced from PubChem (CID 67553278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).