3,4-dimethoxybut-3-en-2-ol

C6H12O3 — CID 123610572

IUPAC3,4-dimethoxybut-3-en-2-ol
SMILESCOC=C(OC)C(C)O
InChIInChI=1S/C6H12O3/c1-5(7)6(9-3)4-8-2/h4-5,7H,1-3H3
InChIKeyPCJGFBOBBMTIRI-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.50
Rot. Bonds3

About 3,4-dimethoxybut-3-en-2-ol

3,4-dimethoxybut-3-en-2-ol (PubChem CID 123610572) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3,4-dimethoxybut-3-en-2-ol.

Molecular Properties

Compound Name3,4-dimethoxybut-3-en-2-ol
PubChem CID123610572
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3,4-dimethoxybut-3-en-2-ol
SMILESCOC=C(OC)C(C)O
InChIInChI=1S/C6H12O3/c1-5(7)6(9-3)4-8-2/h4-5,7H,1-3H3
InChIKeyPCJGFBOBBMTIRI-UHFFFAOYSA-N
XLogP0.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,3-Butendiol
CID 21275995
3-Methoxy-3-buten-2-ol
CID 85624637
2-Methyl-2,3-dihydrofuran-3-ol
CID 122449120
2-Methoxypenta-1,4-dien-3-ol
CID 13483518
(2R)-1-[(E)-prop-1-enoxy]but-3-en-2-ol
CID 178323988
1-Methoxybut-3-en-2-ol
CID 256347
(E)-4-methoxybut-3-en-2-ol
CID 11073357
2-Ethoxyprop-2-en-1-ol
CID 12384798
2-Methoxyprop-2-en-1-ol
CID 13737991
3-(3-Hydroxybut-1-en-2-yloxy)but-3-en-2-ol
CID 19378361
4-Methoxyhexa-4,5-dien-3-ol
CID 44719796
3-Hydroperoxybut-3-en-2-ol
CID 54362911

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxybut-3-en-2-ol?
The IUPAC name of 3,4-dimethoxybut-3-en-2-ol (CID 123610572) is 3,4-dimethoxybut-3-en-2-ol.
What is the SMILES notation for 3,4-dimethoxybut-3-en-2-ol?
The canonical SMILES for 3,4-dimethoxybut-3-en-2-ol is COC=C(OC)C(C)O.
What is the InChIKey of 3,4-dimethoxybut-3-en-2-ol?
The InChIKey is PCJGFBOBBMTIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(7)6(9-3)4-8-2/h4-5,7H,1-3H3.
What are the key properties of 3,4-dimethoxybut-3-en-2-ol?
3,4-dimethoxybut-3-en-2-ol has a molecular weight of 132.16 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybut-3-en-2-ol is sourced from PubChem (CID 123610572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).