2-methylidenebutane-1,3-diol

C5H10O2 — CID 14866361

IUPAC2-methylidenebutane-1,3-diol
SMILESC=C(CO)C(C)O
InChIInChI=1S/C5H10O2/c1-4(3-6)5(2)7/h5-7H,1,3H2,2H3
InChIKeyBAASKFPCFXDLJB-UHFFFAOYSA-N
MW102.13 g/mol
LogP-0.08
Rot. Bonds2

About 2-methylidenebutane-1,3-diol

2-methylidenebutane-1,3-diol (PubChem CID 14866361) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 2-methylidenebutane-1,3-diol.

Molecular Properties

Compound Name2-methylidenebutane-1,3-diol
PubChem CID14866361
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name2-methylidenebutane-1,3-diol
SMILESC=C(CO)C(C)O
InChIInChI=1S/C5H10O2/c1-4(3-6)5(2)7/h5-7H,1,3H2,2H3
InChIKeyBAASKFPCFXDLJB-UHFFFAOYSA-N
XLogP-0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutane-1,3-diol?
The IUPAC name of 2-methylidenebutane-1,3-diol (CID 14866361) is 2-methylidenebutane-1,3-diol.
What is the SMILES notation for 2-methylidenebutane-1,3-diol?
The canonical SMILES for 2-methylidenebutane-1,3-diol is C=C(CO)C(C)O.
What is the InChIKey of 2-methylidenebutane-1,3-diol?
The InChIKey is BAASKFPCFXDLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h5-7H,1,3H2,2H3.
What are the key properties of 2-methylidenebutane-1,3-diol?
2-methylidenebutane-1,3-diol has a molecular weight of 102.13 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutane-1,3-diol is sourced from PubChem (CID 14866361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).