butan-1-ol;prop-2-en-1-ol

C7H16O2 — CID 87275291

IUPACbutan-1-ol;prop-2-en-1-ol
SMILESC=CCO.CCCCO
InChIInChI=1S/C4H10O.C3H6O/c1-2-3-4-5;1-2-3-4/h5H,2-4H2,1H3;2,4H,1,3H2
InChIKeyCDAHAODJLFUOQG-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.94
Rot. Bonds3

About butan-1-ol;prop-2-en-1-ol

butan-1-ol;prop-2-en-1-ol (PubChem CID 87275291) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is butan-1-ol;prop-2-en-1-ol.

Molecular Properties

Compound Namebutan-1-ol;prop-2-en-1-ol
PubChem CID87275291
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Namebutan-1-ol;prop-2-en-1-ol
SMILESC=CCO.CCCCO
InChIInChI=1S/C4H10O.C3H6O/c1-2-3-4-5;1-2-3-4/h5H,2-4H2,1H3;2,4H,1,3H2
InChIKeyCDAHAODJLFUOQG-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.94
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

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butane;butan-1-ol
CID 19774960
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CID 25200102
butan-1-ol;cadmium
CID 154199105
sodium butan-1-ol
CID 19366054
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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;prop-2-en-1-ol?
The IUPAC name of butan-1-ol;prop-2-en-1-ol (CID 87275291) is butan-1-ol;prop-2-en-1-ol.
What is the SMILES notation for butan-1-ol;prop-2-en-1-ol?
The canonical SMILES for butan-1-ol;prop-2-en-1-ol is C=CCO.CCCCO.
What is the InChIKey of butan-1-ol;prop-2-en-1-ol?
The InChIKey is CDAHAODJLFUOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O/c1-2-3-4-5;1-2-3-4/h5H,2-4H2,1H3;2,4H,1,3H2.
What are the key properties of butan-1-ol;prop-2-en-1-ol?
butan-1-ol;prop-2-en-1-ol has a molecular weight of 132.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;prop-2-en-1-ol is sourced from PubChem (CID 87275291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).