butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol

C14H36O4 — CID 173048495

IUPACbutan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCC(C)O.CCCCO.CCO
InChIInChI=1S/3C4H10O.C2H6O/c1-4(2,3)5;1-3-4(2)5;1-2-3-4-5;1-2-3/h5H,1-3H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;3H,2H2,1H3
InChIKeyARWUMJJOSNCZKD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.33
Rot. Bonds3

About butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol

butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol (PubChem CID 173048495) has the molecular formula C14H36O4 and a molecular weight of 268.44 g/mol. Its IUPAC name is butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol.

Molecular Properties

Compound Namebutan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol
PubChem CID173048495
Molecular FormulaC14H36O4
Molecular Weight268.44 g/mol
Exact Mass268.26
IUPAC Namebutan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCC(C)O.CCCCO.CCO
InChIInChI=1S/3C4H10O.C2H6O/c1-4(2,3)5;1-3-4(2)5;1-2-3-4-5;1-2-3/h5H,1-3H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;3H,2H2,1H3
InChIKeyARWUMJJOSNCZKD-UHFFFAOYSA-N
XLogP2.33
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol
CID 162052968
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butan-1-ol;methanol;propan-2-ol
CID 23284119
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CID 87560104
butan-2-ol;ethanol
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butan-2-ol;ethanol
CID 174347632
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290
butan-1-ol;ethanol;zirconium
CID 87234004
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol
CID 161315818

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol?
The IUPAC name of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol (CID 173048495) is butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol.
What is the SMILES notation for butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol?
The canonical SMILES for butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol is CC(C)(C)O.CCC(C)O.CCCCO.CCO.
What is the InChIKey of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol?
The InChIKey is ARWUMJJOSNCZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.C2H6O/c1-4(2,3)5;1-3-4(2)5;1-2-3-4-5;1-2-3/h5H,1-3H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;3H,2H2,1H3.
What are the key properties of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol?
butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol is sourced from PubChem (CID 173048495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).