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

C17H46O6 — CID 161315818

IUPACbutan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol
SMILESCC(C)CO.CC(C)O.CCCCO.CCCO.CCO.CO
InChIInChI=1S/2C4H10O.2C3H8O.C2H6O.CH4O/c1-4(2)3-5;1-2-3-4-5;1-3(2)4;1-2-3-4;1-2-3;1-2/h4-5H,3H2,1-2H3;5H,2-4H2,1H3;3-4H,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3;2H,1H3
InChIKeyVJMBQMAXFMWLDU-UHFFFAOYSA-N
MW346.55 g/mol
LogP1.80
Rot. Bonds4

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

butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol (PubChem CID 161315818) has the molecular formula C17H46O6 and a molecular weight of 346.55 g/mol. Its IUPAC name is butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol.

Molecular Properties

Compound Namebutan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol
PubChem CID161315818
Molecular FormulaC17H46O6
Molecular Weight346.55 g/mol
Exact Mass346.33
IUPAC Namebutan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol
SMILESCC(C)CO.CC(C)O.CCCCO.CCCO.CCO.CO
InChIInChI=1S/2C4H10O.2C3H8O.C2H6O.CH4O/c1-4(2)3-5;1-2-3-4-5;1-3(2)4;1-2-3-4;1-2-3;1-2/h4-5H,3H2,1-2H3;5H,2-4H2,1H3;3-4H,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3;2H,1H3
InChIKeyVJMBQMAXFMWLDU-UHFFFAOYSA-N
XLogP1.80
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.55
LogP ≤ 51.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-1-ol;methanol;propan-2-ol
CID 23284119
butan-1-ol;ethanol;bis(1-sulfanylethanol)
CID 159841433
hexane;2-methylpropan-1-ol
CID 19979471
butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol
CID 162052968
butan-1-ol;methanol
CID 23065762
acetonitrile;butan-1-ol;propan-2-ol
CID 161265407
azane;butan-1-ol;propan-1-ol
CID 87249235
butan-1-ol;ethanol;zirconium
CID 87234004
butan-1-ol;hafnium;methanol
CID 154075018
methane;propan-1-ol;propan-2-ol
CID 159586175
tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
CID 87932046
butan-1-ol;methanol;zirconium
CID 175401462

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol?
The IUPAC name of butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol (CID 161315818) is butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol.
What is the SMILES notation for butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol?
The canonical SMILES for butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol is CC(C)CO.CC(C)O.CCCCO.CCCO.CCO.CO.
What is the InChIKey of butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol?
The InChIKey is VJMBQMAXFMWLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.2C3H8O.C2H6O.CH4O/c1-4(2)3-5;1-2-3-4-5;1-3(2)4;1-2-3-4;1-2-3;1-2/h4-5H,3H2,1-2H3;5H,2-4H2,1H3;3-4H,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3;2H,1H3.
What are the key properties of butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol?
butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol has a molecular weight of 346.55 g/mol, XLogP of 1.80, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol is sourced from PubChem (CID 161315818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).