butan-2-olate

C4H9O- — CID 3664836

IUPACbutan-2-olate
SMILESCCC(C)[O-]
InChIInChI=1S/C4H9O/c1-3-4(2)5/h4H,3H2,1-2H3/q-1
InChIKeyWRMFBHHNOHZECA-UHFFFAOYSA-N
MW73.11 g/mol
LogP0.15
Rot. Bonds1

About butan-2-olate

butan-2-olate (PubChem CID 3664836) has the molecular formula C4H9O- and a molecular weight of 73.11 g/mol. Its IUPAC name is butan-2-olate.

Molecular Properties

Compound Namebutan-2-olate
PubChem CID3664836
Molecular FormulaC4H9O-
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Namebutan-2-olate
SMILESCCC(C)[O-]
InChIInChI=1S/C4H9O/c1-3-4(2)5/h4H,3H2,1-2H3/q-1
InChIKeyWRMFBHHNOHZECA-UHFFFAOYSA-N
XLogP0.15
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diisopropyl Ether
CID 7914
2-Ethoxybutane
CID 17586
Ethyl isopropyl ether
CID 12256
2-Methoxypropane
CID 11721
Propane, 1-(1-methylethoxy)-
CID 12304
2-Methoxybutane
CID 23238
Peroxide, bis(1-methylethyl)
CID 140114
Strontium isopropoxide
CID 6099237
Barium isopropoxide
CID 6101105
3-Methoxypentane
CID 37545
Isopropanolate
CID 3260420
Magnesium dipropan-2-olate
CID 10197750

Frequently Asked Questions

What is the IUPAC name of butan-2-olate?
The IUPAC name of butan-2-olate (CID 3664836) is butan-2-olate.
What is the SMILES notation for butan-2-olate?
The canonical SMILES for butan-2-olate is CCC(C)[O-].
What is the InChIKey of butan-2-olate?
The InChIKey is WRMFBHHNOHZECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-4(2)5/h4H,3H2,1-2H3/q-1.
What are the key properties of butan-2-olate?
butan-2-olate has a molecular weight of 73.11 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-olate is sourced from PubChem (CID 3664836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).