4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol

C18H36O2 — CID 140997660

IUPAC4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol
SMILESC=C(O)C(OCC(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C18H36O2/c1-6-10-12-16(8-3)14-20-18(15(5)19)17(9-4)13-11-7-2/h16-19H,5-14H2,1-4H3
InChIKeyONINFUOPWOHNDO-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.88
Rot. Bonds13

About 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol

4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol (PubChem CID 140997660) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol.

Molecular Properties

Compound Name4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol
PubChem CID140997660
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol
SMILESC=C(O)C(OCC(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C18H36O2/c1-6-10-12-16(8-3)14-20-18(15(5)19)17(9-4)13-11-7-2/h16-19H,5-14H2,1-4H3
InChIKeyONINFUOPWOHNDO-UHFFFAOYSA-N
XLogP5.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol?
The IUPAC name of 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol (CID 140997660) is 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol.
What is the SMILES notation for 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol?
The canonical SMILES for 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol is C=C(O)C(OCC(CC)CCCC)C(CC)CCCC.
What is the InChIKey of 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol?
The InChIKey is ONINFUOPWOHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-6-10-12-16(8-3)14-20-18(15(5)19)17(9-4)13-11-7-2/h16-19H,5-14H2,1-4H3.
What are the key properties of 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol?
4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol has a molecular weight of 284.48 g/mol, XLogP of 5.88, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-ethylhexoxy)oct-1-en-2-ol is sourced from PubChem (CID 140997660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).