butan-2-ol;but-2-ene

C8H18O — CID 157060914

IUPACbutan-2-ol;but-2-ene
SMILESCC=CC.CCC(C)O
InChIInChI=1S/C4H10O.C4H8/c1-3-4(2)5;1-3-4-2/h4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyABIAHOHSSUREQM-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.36
Rot. Bonds1

About butan-2-ol;but-2-ene

butan-2-ol;but-2-ene (PubChem CID 157060914) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is butan-2-ol;but-2-ene.

Molecular Properties

Compound Namebutan-2-ol;but-2-ene
PubChem CID157060914
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Namebutan-2-ol;but-2-ene
SMILESCC=CC.CCC(C)O
InChIInChI=1S/C4H10O.C4H8/c1-3-4(2)5;1-3-4-2/h4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyABIAHOHSSUREQM-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 175569742
acetaldehyde;butan-2-ol;2-methylpropane
CID 174321366
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
butan-2-ol;methane;pentan-3-ol
CID 160881005
butan-2-ol;pentane
CID 87560104

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;but-2-ene?
The IUPAC name of butan-2-ol;but-2-ene (CID 157060914) is butan-2-ol;but-2-ene.
What is the SMILES notation for butan-2-ol;but-2-ene?
The canonical SMILES for butan-2-ol;but-2-ene is CC=CC.CCC(C)O.
What is the InChIKey of butan-2-ol;but-2-ene?
The InChIKey is ABIAHOHSSUREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H8/c1-3-4(2)5;1-3-4-2/h4-5H,3H2,1-2H3;3-4H,1-2H3.
What are the key properties of butan-2-ol;but-2-ene?
butan-2-ol;but-2-ene has a molecular weight of 130.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;but-2-ene is sourced from PubChem (CID 157060914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).