cyclohexyl 4-ethyl-2-methylideneoctanoate

C17H30O2 — CID 69445758

IUPACcyclohexyl 4-ethyl-2-methylideneoctanoate
SMILESC=C(CC(CC)CCCC)C(=O)OC1CCCCC1
InChIInChI=1S/C17H30O2/c1-4-6-10-15(5-2)13-14(3)17(18)19-16-11-8-7-9-12-16/h15-16H,3-13H2,1-2H3
InChIKeySUXLWCKYDVXHSZ-UHFFFAOYSA-N
MW266.42 g/mol
LogP5.03
Rot. Bonds8

About cyclohexyl 4-ethyl-2-methylideneoctanoate

cyclohexyl 4-ethyl-2-methylideneoctanoate (PubChem CID 69445758) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is cyclohexyl 4-ethyl-2-methylideneoctanoate.

Molecular Properties

Compound Namecyclohexyl 4-ethyl-2-methylideneoctanoate
PubChem CID69445758
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Namecyclohexyl 4-ethyl-2-methylideneoctanoate
SMILESC=C(CC(CC)CCCC)C(=O)OC1CCCCC1
InChIInChI=1S/C17H30O2/c1-4-6-10-15(5-2)13-14(3)17(18)19-16-11-8-7-9-12-16/h15-16H,3-13H2,1-2H3
InChIKeySUXLWCKYDVXHSZ-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-ethyl-2-methylideneoctanoate?
The IUPAC name of cyclohexyl 4-ethyl-2-methylideneoctanoate (CID 69445758) is cyclohexyl 4-ethyl-2-methylideneoctanoate.
What is the SMILES notation for cyclohexyl 4-ethyl-2-methylideneoctanoate?
The canonical SMILES for cyclohexyl 4-ethyl-2-methylideneoctanoate is C=C(CC(CC)CCCC)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-ethyl-2-methylideneoctanoate?
The InChIKey is SUXLWCKYDVXHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-6-10-15(5-2)13-14(3)17(18)19-16-11-8-7-9-12-16/h15-16H,3-13H2,1-2H3.
What are the key properties of cyclohexyl 4-ethyl-2-methylideneoctanoate?
cyclohexyl 4-ethyl-2-methylideneoctanoate has a molecular weight of 266.42 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-ethyl-2-methylideneoctanoate is sourced from PubChem (CID 69445758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).