2-butyl-3-propylbutane-1,4-diol

C11H24O2 — CID 87266771

IUPAC2-butyl-3-propylbutane-1,4-diol
SMILESCCCCC(CO)C(CO)CCC
InChIInChI=1S/C11H24O2/c1-3-5-7-11(9-13)10(8-12)6-4-2/h10-13H,3-9H2,1-2H3
InChIKeyWSEKQFUJAMTVEN-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.19
Rot. Bonds8

About 2-butyl-3-propylbutane-1,4-diol

2-butyl-3-propylbutane-1,4-diol (PubChem CID 87266771) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-butyl-3-propylbutane-1,4-diol.

Molecular Properties

Compound Name2-butyl-3-propylbutane-1,4-diol
PubChem CID87266771
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-butyl-3-propylbutane-1,4-diol
SMILESCCCCC(CO)C(CO)CCC
InChIInChI=1S/C11H24O2/c1-3-5-7-11(9-13)10(8-12)6-4-2/h10-13H,3-9H2,1-2H3
InChIKeyWSEKQFUJAMTVEN-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-butyl-3-propylbutane-1,4-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

2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531
2-butylhexane-1,3-diol
CID 18522832
2,3,4-tributylpentane-1,5-diol
CID 174428369
2-(hydroxymethyl)-3-nonan-5-ylbutane-1,4-diol
CID 175029890
1-amino-2-butylpropane-1,3-diol
CID 174805144
4,5-diethylnonane
CID 21188862
2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
3-ethyl-2-heptan-3-ylheptan-1-ol
CID 170847817
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
3-propylnonane-1,2-diol
CID 142914720
2-pentan-2-ylnonan-1-ol
CID 23316007

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-propylbutane-1,4-diol?
The IUPAC name of 2-butyl-3-propylbutane-1,4-diol (CID 87266771) is 2-butyl-3-propylbutane-1,4-diol.
What is the SMILES notation for 2-butyl-3-propylbutane-1,4-diol?
The canonical SMILES for 2-butyl-3-propylbutane-1,4-diol is CCCCC(CO)C(CO)CCC.
What is the InChIKey of 2-butyl-3-propylbutane-1,4-diol?
The InChIKey is WSEKQFUJAMTVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-3-5-7-11(9-13)10(8-12)6-4-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-butyl-3-propylbutane-1,4-diol?
2-butyl-3-propylbutane-1,4-diol has a molecular weight of 188.31 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-propylbutane-1,4-diol is sourced from PubChem (CID 87266771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).