5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol

C18H36O3 — CID 146649199

IUPAC5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol
SMILESCCOC(CC(C)(C)C1CCCO1)C(CC)C(C)(O)CC
InChIInChI=1S/C18H36O3/c1-7-14(18(6,19)8-2)15(20-9-3)13-17(4,5)16-11-10-12-21-16/h14-16,19H,7-13H2,1-6H3
InChIKeyISJCAPPISLORCO-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.17
Rot. Bonds9

About 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol

5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol (PubChem CID 146649199) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol.

Molecular Properties

Compound Name5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol
PubChem CID146649199
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol
SMILESCCOC(CC(C)(C)C1CCCO1)C(CC)C(C)(O)CC
InChIInChI=1S/C18H36O3/c1-7-14(18(6,19)8-2)15(20-9-3)13-17(4,5)16-11-10-12-21-16/h14-16,19H,7-13H2,1-6H3
InChIKeyISJCAPPISLORCO-UHFFFAOYSA-N
XLogP4.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-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 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol?
The IUPAC name of 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol (CID 146649199) is 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol.
What is the SMILES notation for 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol?
The canonical SMILES for 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol is CCOC(CC(C)(C)C1CCCO1)C(CC)C(C)(O)CC.
What is the InChIKey of 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol?
The InChIKey is ISJCAPPISLORCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-7-14(18(6,19)8-2)15(20-9-3)13-17(4,5)16-11-10-12-21-16/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol?
5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol has a molecular weight of 300.48 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-ethyl-3,7-dimethyl-7-(oxolan-2-yl)octan-3-ol is sourced from PubChem (CID 146649199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).