(1-prop-2-enylcyclohexyl) pentanoate

C14H24O2 — CID 155229602

IUPAC(1-prop-2-enylcyclohexyl) pentanoate
SMILESC=CCC1(OC(=O)CCCC)CCCCC1
InChIInChI=1S/C14H24O2/c1-3-5-9-13(15)16-14(10-4-2)11-7-6-8-12-14/h4H,2-3,5-12H2,1H3
InChIKeyUXGYJOSPKDSXNW-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds6

About (1-prop-2-enylcyclohexyl) pentanoate

(1-prop-2-enylcyclohexyl) pentanoate (PubChem CID 155229602) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1-prop-2-enylcyclohexyl) pentanoate.

Molecular Properties

Compound Name(1-prop-2-enylcyclohexyl) pentanoate
PubChem CID155229602
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1-prop-2-enylcyclohexyl) pentanoate
SMILESC=CCC1(OC(=O)CCCC)CCCCC1
InChIInChI=1S/C14H24O2/c1-3-5-9-13(15)16-14(10-4-2)11-7-6-8-12-14/h4H,2-3,5-12H2,1H3
InChIKeyUXGYJOSPKDSXNW-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-prop-2-enylcyclohexyl) pentanoate?
The IUPAC name of (1-prop-2-enylcyclohexyl) pentanoate (CID 155229602) is (1-prop-2-enylcyclohexyl) pentanoate.
What is the SMILES notation for (1-prop-2-enylcyclohexyl) pentanoate?
The canonical SMILES for (1-prop-2-enylcyclohexyl) pentanoate is C=CCC1(OC(=O)CCCC)CCCCC1.
What is the InChIKey of (1-prop-2-enylcyclohexyl) pentanoate?
The InChIKey is UXGYJOSPKDSXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-9-13(15)16-14(10-4-2)11-7-6-8-12-14/h4H,2-3,5-12H2,1H3.
What are the key properties of (1-prop-2-enylcyclohexyl) pentanoate?
(1-prop-2-enylcyclohexyl) pentanoate has a molecular weight of 224.34 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylcyclohexyl) pentanoate is sourced from PubChem (CID 155229602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).