buta-1,2-dien-1-ol

C4H6O — CID 57473234

IUPACbuta-1,2-dien-1-ol
SMILESCC=C=CO
InChIInChI=1S/C4H6O/c1-2-3-4-5/h2,4-5H,1H3
InChIKeyZMDUDEDTIDQZHT-UHFFFAOYSA-N
MW70.09 g/mol
LogP1.23
Rot. Bonds

About buta-1,2-dien-1-ol

buta-1,2-dien-1-ol (PubChem CID 57473234) has the molecular formula C4H6O and a molecular weight of 70.09 g/mol. Its IUPAC name is buta-1,2-dien-1-ol.

Molecular Properties

Compound Namebuta-1,2-dien-1-ol
PubChem CID57473234
Molecular FormulaC4H6O
Molecular Weight70.09 g/mol
Exact Mass70.04
IUPAC Namebuta-1,2-dien-1-ol
SMILESCC=C=CO
InChIInChI=1S/C4H6O/c1-2-3-4-5/h2,4-5H,1H3
InChIKeyZMDUDEDTIDQZHT-UHFFFAOYSA-N
XLogP1.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,2-dien-1-ol?
The IUPAC name of buta-1,2-dien-1-ol (CID 57473234) is buta-1,2-dien-1-ol.
What is the SMILES notation for buta-1,2-dien-1-ol?
The canonical SMILES for buta-1,2-dien-1-ol is CC=C=CO.
What is the InChIKey of buta-1,2-dien-1-ol?
The InChIKey is ZMDUDEDTIDQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O/c1-2-3-4-5/h2,4-5H,1H3.
What are the key properties of buta-1,2-dien-1-ol?
buta-1,2-dien-1-ol has a molecular weight of 70.09 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,2-dien-1-ol is sourced from PubChem (CID 57473234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).