2,3-dimethylbutane;methanol

C7H18O — CID 142260145

IUPAC2,3-dimethylbutane;methanol
SMILESCC(C)C(C)C.CO
InChIInChI=1S/C6H14.CH4O/c1-5(2)6(3)4;1-2/h5-6H,1-4H3;2H,1H3
InChIKeyHMAWFFNGGHJPIO-UHFFFAOYSA-N
MW118.22 g/mol
LogP1.91
Rot. Bonds1

About 2,3-dimethylbutane;methanol

2,3-dimethylbutane;methanol (PubChem CID 142260145) has the molecular formula C7H18O and a molecular weight of 118.22 g/mol. Its IUPAC name is 2,3-dimethylbutane;methanol.

Molecular Properties

Compound Name2,3-dimethylbutane;methanol
PubChem CID142260145
Molecular FormulaC7H18O
Molecular Weight118.22 g/mol
Exact Mass118.14
IUPAC Name2,3-dimethylbutane;methanol
SMILESCC(C)C(C)C.CO
InChIInChI=1S/C6H14.CH4O/c1-5(2)6(3)4;1-2/h5-6H,1-4H3;2H,1H3
InChIKeyHMAWFFNGGHJPIO-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylbutane;ethane
CID 143330980
2,3-dimethylbutane;bis(sulfanediol)
CID 119097400
methanol;pentakis(propan-2-ol)
CID 19010899
cobalt;tetramethylphosphanium
CID 175561525
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
methanol
CID 158655095
gadolinium;methanol
CID 118647250
2,3-dimethylbutane;ethane;propane
CID 144519619
benzene;2,3-dimethylbutane;ethane
CID 159807591
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
2,3-dimethylbutane tetrafluoroborate
CID 174871894
cyclohexane;methanol;propan-2-ol
CID 67797847

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;methanol?
The IUPAC name of 2,3-dimethylbutane;methanol (CID 142260145) is 2,3-dimethylbutane;methanol.
What is the SMILES notation for 2,3-dimethylbutane;methanol?
The canonical SMILES for 2,3-dimethylbutane;methanol is CC(C)C(C)C.CO.
What is the InChIKey of 2,3-dimethylbutane;methanol?
The InChIKey is HMAWFFNGGHJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.CH4O/c1-5(2)6(3)4;1-2/h5-6H,1-4H3;2H,1H3.
What are the key properties of 2,3-dimethylbutane;methanol?
2,3-dimethylbutane;methanol has a molecular weight of 118.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;methanol is sourced from PubChem (CID 142260145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).