(1-prop-2-enylcyclohexyl) decanoate

C19H34O2 — CID 156696617

IUPAC(1-prop-2-enylcyclohexyl) decanoate
SMILESC=CCC1(OC(=O)CCCCCCCCC)CCCCC1
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-11-14-18(20)21-19(15-4-2)16-12-10-13-17-19/h4H,2-3,5-17H2,1H3
InChIKeyVIQXVCRRTUIPJD-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.95
Rot. Bonds11

About (1-prop-2-enylcyclohexyl) decanoate

(1-prop-2-enylcyclohexyl) decanoate (PubChem CID 156696617) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is (1-prop-2-enylcyclohexyl) decanoate.

Molecular Properties

Compound Name(1-prop-2-enylcyclohexyl) decanoate
PubChem CID156696617
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name(1-prop-2-enylcyclohexyl) decanoate
SMILESC=CCC1(OC(=O)CCCCCCCCC)CCCCC1
InChIInChI=1S/C19H34O2/c1-3-5-6-7-8-9-11-14-18(20)21-19(15-4-2)16-12-10-13-17-19/h4H,2-3,5-17H2,1H3
InChIKeyVIQXVCRRTUIPJD-UHFFFAOYSA-N
XLogP5.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.95
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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Frequently Asked Questions

What is the IUPAC name of (1-prop-2-enylcyclohexyl) decanoate?
The IUPAC name of (1-prop-2-enylcyclohexyl) decanoate (CID 156696617) is (1-prop-2-enylcyclohexyl) decanoate.
What is the SMILES notation for (1-prop-2-enylcyclohexyl) decanoate?
The canonical SMILES for (1-prop-2-enylcyclohexyl) decanoate is C=CCC1(OC(=O)CCCCCCCCC)CCCCC1.
What is the InChIKey of (1-prop-2-enylcyclohexyl) decanoate?
The InChIKey is VIQXVCRRTUIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-6-7-8-9-11-14-18(20)21-19(15-4-2)16-12-10-13-17-19/h4H,2-3,5-17H2,1H3.
What are the key properties of (1-prop-2-enylcyclohexyl) decanoate?
(1-prop-2-enylcyclohexyl) decanoate has a molecular weight of 294.48 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylcyclohexyl) decanoate is sourced from PubChem (CID 156696617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).