3,6-diethylnonane-1,9-diol

C13H28O2 — CID 19787583

IUPAC3,6-diethylnonane-1,9-diol
SMILESCCC(CCO)CCC(CC)CCCO
InChIInChI=1S/C13H28O2/c1-3-12(6-5-10-14)7-8-13(4-2)9-11-15/h12-15H,3-11H2,1-2H3
InChIKeyZAEBYRWKPCXZGV-UHFFFAOYSA-N
MW216.36 g/mol
LogP2.97
Rot. Bonds10

About 3,6-diethylnonane-1,9-diol

3,6-diethylnonane-1,9-diol (PubChem CID 19787583) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3,6-diethylnonane-1,9-diol.

Molecular Properties

Compound Name3,6-diethylnonane-1,9-diol
PubChem CID19787583
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3,6-diethylnonane-1,9-diol
SMILESCCC(CCO)CCC(CC)CCCO
InChIInChI=1S/C13H28O2/c1-3-12(6-5-10-14)7-8-13(4-2)9-11-15/h12-15H,3-11H2,1-2H3
InChIKeyZAEBYRWKPCXZGV-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,6-diethylnonane-1,9-diol with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-ethylhexane-1,6-diol
CID 118889856
8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
(3S)-3-ethyloctane-1,8-diol
CID 118889766
3,5,8-triethyldecane-1,10-diol
CID 87065848
4-ethyldecan-1-ol
CID 91002231
4-ethyltridecan-1-ol
CID 20550506
5-ethyloctan-1-ol
CID 22492547
10-ethyldodecan-1-ol
CID 18475243
azane;3-ethylhenicosan-1-ol
CID 174815540
18-ethylhenicosan-1-ol
CID 87097708
6-ethyldecane-1,4-diol
CID 106677709
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754

Frequently Asked Questions

What is the IUPAC name of 3,6-diethylnonane-1,9-diol?
The IUPAC name of 3,6-diethylnonane-1,9-diol (CID 19787583) is 3,6-diethylnonane-1,9-diol.
What is the SMILES notation for 3,6-diethylnonane-1,9-diol?
The canonical SMILES for 3,6-diethylnonane-1,9-diol is CCC(CCO)CCC(CC)CCCO.
What is the InChIKey of 3,6-diethylnonane-1,9-diol?
The InChIKey is ZAEBYRWKPCXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-3-12(6-5-10-14)7-8-13(4-2)9-11-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 3,6-diethylnonane-1,9-diol?
3,6-diethylnonane-1,9-diol has a molecular weight of 216.36 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethylnonane-1,9-diol is sourced from PubChem (CID 19787583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).