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

C20H52O6 — CID 162052968

IUPACbutan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol
SMILESCC(C)(C)O.CC(C)O.CCC(C)O.CCCCO.CCCO.CCO
InChIInChI=1S/3C4H10O.2C3H8O.C2H6O/c1-4(2,3)5;1-3-4(2)5;1-2-3-4-5;1-3(2)4;1-2-3-4;1-2-3/h5H,1-3H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;3-4H,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3
InChIKeyYYUHIDNZSDYPNV-UHFFFAOYSA-N
MW388.63 g/mol
LogP3.11
Rot. Bonds4

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

butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol (PubChem CID 162052968) has the molecular formula C20H52O6 and a molecular weight of 388.63 g/mol. Its IUPAC name is butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol.

Molecular Properties

Compound Namebutan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol
PubChem CID162052968
Molecular FormulaC20H52O6
Molecular Weight388.63 g/mol
Exact Mass388.38
IUPAC Namebutan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol
SMILESCC(C)(C)O.CC(C)O.CCC(C)O.CCCCO.CCCO.CCO
InChIInChI=1S/3C4H10O.2C3H8O.C2H6O/c1-4(2,3)5;1-3-4(2)5;1-2-3-4-5;1-3(2)4;1-2-3-4;1-2-3/h5H,1-3H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;3-4H,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3
InChIKeyYYUHIDNZSDYPNV-UHFFFAOYSA-N
XLogP3.11
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 53.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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CID 173048495
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CID 161315818
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CID 159841433
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CID 87560104
butan-2-ol;ethanol
CID 87396559
butan-2-ol;ethanol
CID 174347632
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CID 161265407
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CID 87249235
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CID 154183382

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol?
The IUPAC name of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol (CID 162052968) is butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol.
What is the SMILES notation for butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol?
The canonical SMILES for butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol is CC(C)(C)O.CC(C)O.CCC(C)O.CCCCO.CCCO.CCO.
What is the InChIKey of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol?
The InChIKey is YYUHIDNZSDYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.2C3H8O.C2H6O/c1-4(2,3)5;1-3-4(2)5;1-2-3-4-5;1-3(2)4;1-2-3-4;1-2-3/h5H,1-3H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;3-4H,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3.
What are the key properties of butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol?
butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol has a molecular weight of 388.63 g/mol, XLogP of 3.11, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;butan-2-ol;ethanol;2-methylpropan-2-ol;propan-1-ol;propan-2-ol is sourced from PubChem (CID 162052968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).