5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol

C16H34O4 — CID 158991025

IUPAC5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol
SMILESCCC(O)CC(CCCO)(CC(O)CC)CC(O)CC
InChIInChI=1S/C16H34O4/c1-4-13(18)10-16(8-7-9-17,11-14(19)5-2)12-15(20)6-3/h13-15,17-20H,4-12H2,1-3H3
InChIKeyJQDWFEUYCIOFRA-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.23
Rot. Bonds12

About 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol

5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol (PubChem CID 158991025) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol.

Molecular Properties

Compound Name5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol
PubChem CID158991025
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol
SMILESCCC(O)CC(CCCO)(CC(O)CC)CC(O)CC
InChIInChI=1S/C16H34O4/c1-4-13(18)10-16(8-7-9-17,11-14(19)5-2)12-15(20)6-3/h13-15,17-20H,4-12H2,1-3H3
InChIKeyJQDWFEUYCIOFRA-UHFFFAOYSA-N
XLogP2.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-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

(5R)-heptane-1,5-diol
CID 170849468
decane-1,8-diol
CID 160857478
undecane-1,9-diol
CID 56629636
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348
butane-1,4-diol;propane-1,1-diol
CID 122480179
4,4-dibutyloctan-1-ol
CID 58892760
3,3-diethylhexane-1,6-diol
CID 87792714
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
pentane-1,1,1,3-tetrol
CID 176711420
2-ethyl-2-(hydroxymethyl)pentane-1,5-diol;hydrate
CID 174549164
2,2-bis(hydroxymethyl)pentane-1,5-diol
CID 22166298

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol?
The IUPAC name of 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol (CID 158991025) is 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol.
What is the SMILES notation for 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol?
The canonical SMILES for 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol is CCC(O)CC(CCCO)(CC(O)CC)CC(O)CC.
What is the InChIKey of 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol?
The InChIKey is JQDWFEUYCIOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-4-13(18)10-16(8-7-9-17,11-14(19)5-2)12-15(20)6-3/h13-15,17-20H,4-12H2,1-3H3.
What are the key properties of 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol?
5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol has a molecular weight of 290.44 g/mol, XLogP of 2.23, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxybutyl)-5-(3-hydroxypropyl)nonane-3,7-diol is sourced from PubChem (CID 158991025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).