pentane-1,2,3-triol

C5H12O3 — CID 547785

IUPACpentane-1,2,3-triol
SMILESCCC(O)C(O)CO
InChIInChI=1S/C5H12O3/c1-2-4(7)5(8)3-6/h4-8H,2-3H2,1H3
InChIKeyAALKGALVYCZETF-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.89
Rot. Bonds3

About pentane-1,2,3-triol

pentane-1,2,3-triol (PubChem CID 547785) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is pentane-1,2,3-triol.

Molecular Properties

Compound Namepentane-1,2,3-triol
PubChem CID547785
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Namepentane-1,2,3-triol
SMILESCCC(O)C(O)CO
InChIInChI=1S/C5H12O3/c1-2-4(7)5(8)3-6/h4-8H,2-3H2,1H3
InChIKeyAALKGALVYCZETF-UHFFFAOYSA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze pentane-1,2,3-triol 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

(2S,3S)-pentane-1,2,3-triol
CID 11636797
ethoxyethane;pentane-1,2,3-triol
CID 87302258
butane;butane-1,2,3,4-tetrol
CID 155273073
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
heptane-1,2,3,4,5-pentol
CID 21365644
bis((2R,3R)-butane-1,2,3,4-tetrol);1-sulfanylethanol
CID 161456248
butane-1,1-diol;butane-1,2,3,4-tetrol
CID 175408326
(2S,3S)-2-iodopentane-1,3-diol
CID 100997692
2-(hydroxymethyl)pentane-1,1,3-triol
CID 174486328
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
(2S)-butan-2-ol;(2S,3S,4R)-hexane-2,3,4-triol;(2R,3R,4S)-pentane-1,2,3,4-tetrol
CID 158918319
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321

Frequently Asked Questions

What is the IUPAC name of pentane-1,2,3-triol?
The IUPAC name of pentane-1,2,3-triol (CID 547785) is pentane-1,2,3-triol.
What is the SMILES notation for pentane-1,2,3-triol?
The canonical SMILES for pentane-1,2,3-triol is CCC(O)C(O)CO.
What is the InChIKey of pentane-1,2,3-triol?
The InChIKey is AALKGALVYCZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3/c1-2-4(7)5(8)3-6/h4-8H,2-3H2,1H3.
What are the key properties of pentane-1,2,3-triol?
pentane-1,2,3-triol has a molecular weight of 120.15 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,2,3-triol is sourced from PubChem (CID 547785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).