hexane;2-methylpropan-1-ol

C10H24O — CID 19979471

IUPAChexane;2-methylpropan-1-ol
SMILESCC(C)CO.CCCCCC
InChIInChI=1S/C6H14.C4H10O/c1-3-5-6-4-2;1-4(2)3-5/h3-6H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyBTUGXUCMSBBWSI-UHFFFAOYSA-N
MW160.30 g/mol
LogP3.22
Rot. Bonds4

About hexane;2-methylpropan-1-ol

hexane;2-methylpropan-1-ol (PubChem CID 19979471) has the molecular formula C10H24O and a molecular weight of 160.30 g/mol. Its IUPAC name is hexane;2-methylpropan-1-ol.

Molecular Properties

Compound Namehexane;2-methylpropan-1-ol
PubChem CID19979471
Molecular FormulaC10H24O
Molecular Weight160.30 g/mol
Exact Mass160.18
IUPAC Namehexane;2-methylpropan-1-ol
SMILESCC(C)CO.CCCCCC
InChIInChI=1S/C6H14.C4H10O/c1-3-5-6-4-2;1-4(2)3-5/h3-6H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyBTUGXUCMSBBWSI-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88506925
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azane;tris(2-methylpropan-1-ol)
CID 175819145
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
tris(2-methylpropan-1-ol);titanium
CID 87503095
pentane;propane-1,2-diol
CID 88731847
tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942506
butan-1-ol;ethanol;methanol;2-methylpropan-1-ol;propan-1-ol;propan-2-ol
CID 161315818
octane;propan-2-ol
CID 160746796
2-(2-methylpropyl)heptan-1-ol
CID 66058548
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CID 17218

Frequently Asked Questions

What is the IUPAC name of hexane;2-methylpropan-1-ol?
The IUPAC name of hexane;2-methylpropan-1-ol (CID 19979471) is hexane;2-methylpropan-1-ol.
What is the SMILES notation for hexane;2-methylpropan-1-ol?
The canonical SMILES for hexane;2-methylpropan-1-ol is CC(C)CO.CCCCCC.
What is the InChIKey of hexane;2-methylpropan-1-ol?
The InChIKey is BTUGXUCMSBBWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H10O/c1-3-5-6-4-2;1-4(2)3-5/h3-6H2,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of hexane;2-methylpropan-1-ol?
hexane;2-methylpropan-1-ol has a molecular weight of 160.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;2-methylpropan-1-ol is sourced from PubChem (CID 19979471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).