(2R)-2-methylbut-3-ene-1,2-diol

C5H10O2 — CID 10176101

IUPAC(2R)-2-methylbut-3-ene-1,2-diol
SMILESC=C[C@@](C)(O)CO
InChIInChI=1S/C5H10O2/c1-3-5(2,7)4-6/h3,6-7H,1,4H2,2H3/t5-/m1/s1
InChIKeyXZRGYMKUQMPDQH-RXMQYKEDSA-N
MW102.13 g/mol
LogP-0.08
Rot. Bonds2

About (2R)-2-methylbut-3-ene-1,2-diol

(2R)-2-methylbut-3-ene-1,2-diol (PubChem CID 10176101) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (2R)-2-methylbut-3-ene-1,2-diol.

Molecular Properties

Compound Name(2R)-2-methylbut-3-ene-1,2-diol
PubChem CID10176101
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(2R)-2-methylbut-3-ene-1,2-diol
SMILESC=C[C@@](C)(O)CO
InChIInChI=1S/C5H10O2/c1-3-5(2,7)4-6/h3,6-7H,1,4H2,2H3/t5-/m1/s1
InChIKeyXZRGYMKUQMPDQH-RXMQYKEDSA-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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Related Compounds

3-Butene-1,2-diol
CID 10338
3-Butene-1,2-diol, (2S)-
CID 6999958
3-Butene-1,2-diol, (2R)-
CID 6999959
2-Methylbut-3-ene-1,2-diol
CID 185554
Pent-4-ene-2,3-diol
CID 14660056
2-(1E)-1-Propen-1-yl-1,2,3-propanetriol
CID 15625765
(2R)-2-methoxy-2-methylbut-3-en-1-ol
CID 29924164
2-Methylbut-3-ene-1,2,3-triol
CID 71406185
2-Vinylpropane-1,2,3-triol
CID 130123389
InChI=1/C7H12O2/c1-4-7(9,5-2)6(3)8/h4-6,8-9H,1-2H2,3H
CID 15939993
(2R,3R)-pent-4-ene-2,3-diol
CID 14660058
2-Hydroperoxy-2-methyl-3-buten-1-ol
CID 15782744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylbut-3-ene-1,2-diol?
The IUPAC name of (2R)-2-methylbut-3-ene-1,2-diol (CID 10176101) is (2R)-2-methylbut-3-ene-1,2-diol.
What is the SMILES notation for (2R)-2-methylbut-3-ene-1,2-diol?
The canonical SMILES for (2R)-2-methylbut-3-ene-1,2-diol is C=C[C@@](C)(O)CO.
What is the InChIKey of (2R)-2-methylbut-3-ene-1,2-diol?
The InChIKey is XZRGYMKUQMPDQH-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5(2,7)4-6/h3,6-7H,1,4H2,2H3/t5-/m1/s1.
What are the key properties of (2R)-2-methylbut-3-ene-1,2-diol?
(2R)-2-methylbut-3-ene-1,2-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 (2R)-2-methylbut-3-ene-1,2-diol is sourced from PubChem (CID 10176101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).