butan-1-ol;ethenol

C6H14O2 — CID 174734131

IUPACbutan-1-ol;ethenol
SMILESC=CO.CCCCO
InChIInChI=1S/C4H10O.C2H4O/c1-2-3-4-5;1-2-3/h5H,2-4H2,1H3;2-3H,1H2
InChIKeyCJELZGFPXBHGGR-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.47
Rot. Bonds2

About butan-1-ol;ethenol

butan-1-ol;ethenol (PubChem CID 174734131) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is butan-1-ol;ethenol.

Molecular Properties

Compound Namebutan-1-ol;ethenol
PubChem CID174734131
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Namebutan-1-ol;ethenol
SMILESC=CO.CCCCO
InChIInChI=1S/C4H10O.C2H4O/c1-2-3-4-5;1-2-3/h5H,2-4H2,1H3;2-3H,1H2
InChIKeyCJELZGFPXBHGGR-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethenol;hexane
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butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
ethenol;heptadecane
CID 158851930
butan-1-ol;ethane-1,2-diol;ethene
CID 87220832
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
tris(butan-1-ol);zirconium
CID 25200102
pentakis(butan-1-ol);vanadium
CID 14228635
butane;butan-1-ol
CID 19774960

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethenol?
The IUPAC name of butan-1-ol;ethenol (CID 174734131) is butan-1-ol;ethenol.
What is the SMILES notation for butan-1-ol;ethenol?
The canonical SMILES for butan-1-ol;ethenol is C=CO.CCCCO.
What is the InChIKey of butan-1-ol;ethenol?
The InChIKey is CJELZGFPXBHGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H4O/c1-2-3-4-5;1-2-3/h5H,2-4H2,1H3;2-3H,1H2.
What are the key properties of butan-1-ol;ethenol?
butan-1-ol;ethenol has a molecular weight of 118.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethenol is sourced from PubChem (CID 174734131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).