(1-ethylcyclohexyl) pent-4-enoate

C13H22O2 — CID 59620786

IUPAC(1-ethylcyclohexyl) pent-4-enoate
SMILESC=CCCC(=O)OC1(CC)CCCCC1
InChIInChI=1S/C13H22O2/c1-3-5-9-12(14)15-13(4-2)10-7-6-8-11-13/h3H,1,4-11H2,2H3
InChIKeyVPHLSACTNJJEJJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.61
Rot. Bonds5

About (1-ethylcyclohexyl) pent-4-enoate

(1-ethylcyclohexyl) pent-4-enoate (PubChem CID 59620786) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1-ethylcyclohexyl) pent-4-enoate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) pent-4-enoate
PubChem CID59620786
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(1-ethylcyclohexyl) pent-4-enoate
SMILESC=CCCC(=O)OC1(CC)CCCCC1
InChIInChI=1S/C13H22O2/c1-3-5-9-12(14)15-13(4-2)10-7-6-8-11-13/h3H,1,4-11H2,2H3
InChIKeyVPHLSACTNJJEJJ-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.61
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-ethylcyclohexyl) pent-4-enoate?
The IUPAC name of (1-ethylcyclohexyl) pent-4-enoate (CID 59620786) is (1-ethylcyclohexyl) pent-4-enoate.
What is the SMILES notation for (1-ethylcyclohexyl) pent-4-enoate?
The canonical SMILES for (1-ethylcyclohexyl) pent-4-enoate is C=CCCC(=O)OC1(CC)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) pent-4-enoate?
The InChIKey is VPHLSACTNJJEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-5-9-12(14)15-13(4-2)10-7-6-8-11-13/h3H,1,4-11H2,2H3.
What are the key properties of (1-ethylcyclohexyl) pent-4-enoate?
(1-ethylcyclohexyl) pent-4-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) pent-4-enoate is sourced from PubChem (CID 59620786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).