2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane

C23H54O — CID 159479339

IUPAC2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane
SMILESCC.CC(C)C(C)C.CCC(C)C(C)C.CCC(C)C(O)C(C)C
InChIInChI=1S/C8H18O.C7H16.C6H14.C2H6/c1-5-7(4)8(9)6(2)3;1-5-7(4)6(2)3;1-5(2)6(3)4;1-2/h6-9H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;1-2H3
InChIKeyLWUMWVGTDFXOEJ-UHFFFAOYSA-N
MW346.68 g/mol
LogP8.06
Rot. Bonds6

About 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane

2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane (PubChem CID 159479339) has the molecular formula C23H54O and a molecular weight of 346.68 g/mol. Its IUPAC name is 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane.

Molecular Properties

Compound Name2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane
PubChem CID159479339
Molecular FormulaC23H54O
Molecular Weight346.68 g/mol
Exact Mass346.42
IUPAC Name2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane
SMILESCC.CC(C)C(C)C.CCC(C)C(C)C.CCC(C)C(O)C(C)C
InChIInChI=1S/C8H18O.C7H16.C6H14.C2H6/c1-5-7(4)8(9)6(2)3;1-5-7(4)6(2)3;1-5(2)6(3)4;1-2/h6-9H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;1-2H3
InChIKeyLWUMWVGTDFXOEJ-UHFFFAOYSA-N
XLogP8.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.68
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylpentane;ethane;methane
CID 143379754
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
CID 159853039
5-methylheptane-3,4-diol
CID 21486220
cyclobutane;2,3-dimethylpentane
CID 145154125
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577
(2R)-2-amino-4-methylhexan-3-ol
CID 164643928
(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
3-(bromomethyl)-5-methylheptan-4-ol
CID 173307916
2,3-dimethylpentane;hexan-3-ol
CID 143653257

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane?
The IUPAC name of 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane (CID 159479339) is 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane.
What is the SMILES notation for 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane?
The canonical SMILES for 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane is CC.CC(C)C(C)C.CCC(C)C(C)C.CCC(C)C(O)C(C)C.
What is the InChIKey of 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane?
The InChIKey is LWUMWVGTDFXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C7H16.C6H14.C2H6/c1-5-7(4)8(9)6(2)3;1-5-7(4)6(2)3;1-5(2)6(3)4;1-2/h6-9H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;1-2H3.
What are the key properties of 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane?
2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane has a molecular weight of 346.68 g/mol, XLogP of 8.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane is sourced from PubChem (CID 159479339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).