butane-2,3-diol

C4H10O2 — CID 262

IUPACbutane-2,3-diol
SMILESCC(O)C(C)O
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKeyOWBTYPJTUOEWEK-UHFFFAOYSA-N
MW90.12 g/mol
LogP-0.25
Rot. Bonds1

About butane-2,3-diol

butane-2,3-diol (PubChem CID 262) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is butane-2,3-diol.

Molecular Properties

Compound Namebutane-2,3-diol
PubChem CID262
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Namebutane-2,3-diol
SMILESCC(O)C(C)O
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKeyOWBTYPJTUOEWEK-UHFFFAOYSA-N
XLogP-0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane-2,3-diol?
The IUPAC name of butane-2,3-diol (CID 262) is butane-2,3-diol.
What is the SMILES notation for butane-2,3-diol?
The canonical SMILES for butane-2,3-diol is CC(O)C(C)O.
What is the InChIKey of butane-2,3-diol?
The InChIKey is OWBTYPJTUOEWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3.
What are the key properties of butane-2,3-diol?
butane-2,3-diol has a molecular weight of 90.12 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane-2,3-diol is sourced from PubChem (CID 262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).