2,2-dimethylpropane-1,3-diol;propan-2-ol

C8H20O3 — CID 174928286

IUPAC2,2-dimethylpropane-1,3-diol;propan-2-ol
SMILESCC(C)(CO)CO.CC(C)O
InChIInChI=1S/C5H12O2.C3H8O/c1-5(2,3-6)4-7;1-3(2)4/h6-7H,3-4H2,1-2H3;3-4H,1-2H3
InChIKeyVECZTNMIIPCXFE-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.38
Rot. Bonds2

About 2,2-dimethylpropane-1,3-diol;propan-2-ol

2,2-dimethylpropane-1,3-diol;propan-2-ol (PubChem CID 174928286) has the molecular formula C8H20O3 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,2-dimethylpropane-1,3-diol;propan-2-ol.

Molecular Properties

Compound Name2,2-dimethylpropane-1,3-diol;propan-2-ol
PubChem CID174928286
Molecular FormulaC8H20O3
Molecular Weight164.25 g/mol
Exact Mass164.14
IUPAC Name2,2-dimethylpropane-1,3-diol;propan-2-ol
SMILESCC(C)(CO)CO.CC(C)O
InChIInChI=1S/C5H12O2.C3H8O/c1-5(2,3-6)4-7;1-3(2)4/h6-7H,3-4H2,1-2H3;3-4H,1-2H3
InChIKeyVECZTNMIIPCXFE-UHFFFAOYSA-N
XLogP0.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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benzene;2,2-dimethylpropane-1,3-diol
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2,2-dimethylpropane-1,3-diol;selenous acid
CID 88681450
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290
2,2,4-trimethylhexan-1-ol
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2,2-dimethylpropane-1,3-diol;furan-2,5-dione;propane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1,3-diol;propan-2-ol?
The IUPAC name of 2,2-dimethylpropane-1,3-diol;propan-2-ol (CID 174928286) is 2,2-dimethylpropane-1,3-diol;propan-2-ol.
What is the SMILES notation for 2,2-dimethylpropane-1,3-diol;propan-2-ol?
The canonical SMILES for 2,2-dimethylpropane-1,3-diol;propan-2-ol is CC(C)(CO)CO.CC(C)O.
What is the InChIKey of 2,2-dimethylpropane-1,3-diol;propan-2-ol?
The InChIKey is VECZTNMIIPCXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C3H8O/c1-5(2,3-6)4-7;1-3(2)4/h6-7H,3-4H2,1-2H3;3-4H,1-2H3.
What are the key properties of 2,2-dimethylpropane-1,3-diol;propan-2-ol?
2,2-dimethylpropane-1,3-diol;propan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1,3-diol;propan-2-ol is sourced from PubChem (CID 174928286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).