pentane-1,3,5-triol

C5H12O3 — CID 554363

IUPACpentane-1,3,5-triol
SMILESOCCC(O)CCO
InChIInChI=1S/C5H12O3/c6-3-1-5(8)2-4-7/h5-8H,1-4H2
InChIKeyLMMTVYUCEFJZLC-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.89
Rot. Bonds4

About pentane-1,3,5-triol

pentane-1,3,5-triol (PubChem CID 554363) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is pentane-1,3,5-triol.

Molecular Properties

Compound Namepentane-1,3,5-triol
PubChem CID554363
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Namepentane-1,3,5-triol
SMILESOCCC(O)CCO
InChIInChI=1S/C5H12O3/c6-3-1-5(8)2-4-7/h5-8H,1-4H2
InChIKeyLMMTVYUCEFJZLC-UHFFFAOYSA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of pentane-1,3,5-triol?
The IUPAC name of pentane-1,3,5-triol (CID 554363) is pentane-1,3,5-triol.
What is the SMILES notation for pentane-1,3,5-triol?
The canonical SMILES for pentane-1,3,5-triol is OCCC(O)CCO.
What is the InChIKey of pentane-1,3,5-triol?
The InChIKey is LMMTVYUCEFJZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3/c6-3-1-5(8)2-4-7/h5-8H,1-4H2.
What are the key properties of pentane-1,3,5-triol?
pentane-1,3,5-triol has a molecular weight of 120.15 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,3,5-triol is sourced from PubChem (CID 554363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).