2-Methylpenta-3,4-diene-1,2-diol

C6H10O2 — CID 57295172

IUPAC2-methylpenta-3,4-diene-1,2-diol
SMILESCC(CO)(C=C=C)O
InChIInChI=1S/C6H10O2/c1-3-4-6(2,8)5-7/h4,7-8H,1,5H2,2H3
InChIKeyJFAUZUATLNNLJU-UHFFFAOYSA-N
MW114.14 g/mol
LogP-0.70
Rot. Bonds2

About 2-Methylpenta-3,4-diene-1,2-diol

2-Methylpenta-3,4-diene-1,2-diol (PubChem CID 57295172) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methylpenta-3,4-diene-1,2-diol.

Molecular Properties

Compound Name2-Methylpenta-3,4-diene-1,2-diol
PubChem CID57295172
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methylpenta-3,4-diene-1,2-diol
SMILESCC(CO)(C=C=C)O
InChIInChI=1S/C6H10O2/c1-3-4-6(2,8)5-7/h4,7-8H,1,5H2,2H3
InChIKeyJFAUZUATLNNLJU-UHFFFAOYSA-N
XLogP-0.70
TPSA40.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity114

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbut-3-ene-1,2-diol
CID 185554
(2R)-2-methylbut-3-ene-1,2-diol
CID 10176101
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
2-Hydroperoxy-2-methyl-3-buten-1-ol
CID 15782744
(2R,3S)-3-methylpent-4-ene-2,3-diol
CID 44477731
3,4-Dihydroxy-3-methylpent-1-en-1-one
CID 134893043
(2S)-3-ethenylpent-4-ene-2,3-diol
CID 11829449
1-Methoxy-2-methylbut-3-en-2-ol
CID 10103149
3-Methyl-4-pentene-2,3-diol
CID 14869927
1-(Hydroxymethyl)cycloprop-2-en-1-ol
CID 17856374

Frequently Asked Questions

What is the IUPAC name of 2-Methylpenta-3,4-diene-1,2-diol?
The IUPAC name of 2-Methylpenta-3,4-diene-1,2-diol (CID 57295172) is 2-methylpenta-3,4-diene-1,2-diol.
What is the SMILES notation for 2-Methylpenta-3,4-diene-1,2-diol?
The canonical SMILES for 2-Methylpenta-3,4-diene-1,2-diol is CC(CO)(C=C=C)O.
What is the InChIKey of 2-Methylpenta-3,4-diene-1,2-diol?
The InChIKey is JFAUZUATLNNLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-6(2,8)5-7/h4,7-8H,1,5H2,2H3.
What are the key properties of 2-Methylpenta-3,4-diene-1,2-diol?
2-Methylpenta-3,4-diene-1,2-diol has a molecular weight of 114.14 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methylpenta-3,4-diene-1,2-diol is sourced from PubChem (CID 57295172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).