2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane

C17H40O — CID 165015674

IUPAC2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
SMILESCC(C)C(C)C.CC(C)C(C)O.CCCC(C)C
InChIInChI=1S/2C6H14.C5H12O/c1-5(2)6(3)4;1-4-5-6(2)3;1-4(2)5(3)6/h5-6H,1-4H3;6H,4-5H2,1-3H3;4-6H,1-3H3
InChIKeyKJMYJXMKHJQUNB-UHFFFAOYSA-N
MW260.51 g/mol
LogP5.76
Rot. Bonds4

About 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane

2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane (PubChem CID 165015674) has the molecular formula C17H40O and a molecular weight of 260.51 g/mol. Its IUPAC name is 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane.

Molecular Properties

Compound Name2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
PubChem CID165015674
Molecular FormulaC17H40O
Molecular Weight260.51 g/mol
Exact Mass260.31
IUPAC Name2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
SMILESCC(C)C(C)C.CC(C)C(C)O.CCCC(C)C
InChIInChI=1S/2C6H14.C5H12O/c1-5(2)6(3)4;1-4-5-6(2)3;1-4(2)5(3)6/h5-6H,1-4H3;6H,4-5H2,1-3H3;4-6H,1-3H3
InChIKeyKJMYJXMKHJQUNB-UHFFFAOYSA-N
XLogP5.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylpentane
CID 7892
ethane;2-methylpentane
CID 143713716
azane;2-methylpentane
CID 18347292
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
2-methylbutane;3-methylbutan-2-ol
CID 87553210
ethane;methane;bis(2-methylpentane)
CID 142143156
methane;2-methylpentane;propane
CID 161026516
ethanamine;2-methylpentane
CID 143240474
hexane;2-methylpentane
CID 19835603
(2R)-3-methylhexan-2-ol
CID 88692749

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane?
The IUPAC name of 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane (CID 165015674) is 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane.
What is the SMILES notation for 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane?
The canonical SMILES for 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane is CC(C)C(C)C.CC(C)C(C)O.CCCC(C)C.
What is the InChIKey of 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane?
The InChIKey is KJMYJXMKHJQUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14.C5H12O/c1-5(2)6(3)4;1-4-5-6(2)3;1-4(2)5(3)6/h5-6H,1-4H3;6H,4-5H2,1-3H3;4-6H,1-3H3.
What are the key properties of 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane?
2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane has a molecular weight of 260.51 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane is sourced from PubChem (CID 165015674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).