2,2-dimethylbutane-1,3-diol;methane

C8H22O2 — CID 158054850

IUPAC2,2-dimethylbutane-1,3-diol;methane
SMILESC.C.CC(O)C(C)(C)CO
InChIInChI=1S/C6H14O2.2CH4/c1-5(8)6(2,3)4-7;;/h5,7-8H,4H2,1-3H3;2*1H4
InChIKeyFJXMMYWTKUZZFE-UHFFFAOYSA-N
MW150.26 g/mol
LogP1.66
Rot. Bonds2

About 2,2-dimethylbutane-1,3-diol;methane

2,2-dimethylbutane-1,3-diol;methane (PubChem CID 158054850) has the molecular formula C8H22O2 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2,2-dimethylbutane-1,3-diol;methane.

Molecular Properties

Compound Name2,2-dimethylbutane-1,3-diol;methane
PubChem CID158054850
Molecular FormulaC8H22O2
Molecular Weight150.26 g/mol
Exact Mass150.16
IUPAC Name2,2-dimethylbutane-1,3-diol;methane
SMILESC.C.CC(O)C(C)(C)CO
InChIInChI=1S/C6H14O2.2CH4/c1-5(8)6(2,3)4-7;;/h5,7-8H,4H2,1-3H3;2*1H4
InChIKeyFJXMMYWTKUZZFE-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylpentane-1,4-diol
CID 12931500
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
(3S)-2,2,4,4-tetramethylpentane-1,3-diol
CID 59590927
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
2-methyl-2-propan-2-ylbutane-1,3-diol
CID 12660971
2,2,3-trimethylpentane-1,5-diol
CID 57197180
propane-1,2-diol
CID 23506506
CID 131881947
CID 131881947
2,4-dihydroxy-3,3-dimethylbutanoate
CID 3283973
2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
CID 161162971
(2S)-2,4-dihydroxy-3,3-dimethylbutanenitrile
CID 11378502

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane-1,3-diol;methane?
The IUPAC name of 2,2-dimethylbutane-1,3-diol;methane (CID 158054850) is 2,2-dimethylbutane-1,3-diol;methane.
What is the SMILES notation for 2,2-dimethylbutane-1,3-diol;methane?
The canonical SMILES for 2,2-dimethylbutane-1,3-diol;methane is C.C.CC(O)C(C)(C)CO.
What is the InChIKey of 2,2-dimethylbutane-1,3-diol;methane?
The InChIKey is FJXMMYWTKUZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.2CH4/c1-5(8)6(2,3)4-7;;/h5,7-8H,4H2,1-3H3;2*1H4.
What are the key properties of 2,2-dimethylbutane-1,3-diol;methane?
2,2-dimethylbutane-1,3-diol;methane has a molecular weight of 150.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane-1,3-diol;methane is sourced from PubChem (CID 158054850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).