2,2-diethylpropane-1,3-diol

C7H16O2 — CID 8284

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IUPAC2,2-diethylpropane-1,3-diol
SMILESCCC(CC)(CO)CO
InChIInChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3
InChIKeyXRVCFZPJAHWYTB-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.78
Rot. Bonds4

About 2,2-diethylpropane-1,3-diol

2,2-diethylpropane-1,3-diol (PubChem CID 8284) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 2,2-diethylpropane-1,3-diol.

Molecular Properties

Compound Name2,2-diethylpropane-1,3-diol
PubChem CID8284
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name2,2-diethylpropane-1,3-diol
SMILESCCC(CC)(CO)CO
InChIInChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3
InChIKeyXRVCFZPJAHWYTB-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Trimethylolpropane
CID 6510
2-Methyl-2-propylpropane-1,3-diol
CID 66220
2-Tert-butylpropane-1,3-diol
CID 100226
Butylidynetrimethanol
CID 81928
1,3-Propanediol, 2-ethyl-2-propyl-
CID 117489
1,3-Propanediol, 2-tert-butyl-2-methyl-
CID 117513
1,5-Pentanediol, 3,3-diethyl-
CID 3039726
3,3-Dimethylpentane-1,5-diol
CID 12810774
2-Pentanol, 3,3-dimethyl-
CID 177084
2-Ethyl-2-methyl-1,3-propanediol
CID 66169
Trimethylolpropane monomethyl ether
CID 82109
2-(Methoxymethyl)-2-methylbutan-1-ol
CID 58975346

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylpropane-1,3-diol?
The IUPAC name of 2,2-diethylpropane-1,3-diol (CID 8284) is 2,2-diethylpropane-1,3-diol.
What is the SMILES notation for 2,2-diethylpropane-1,3-diol?
The canonical SMILES for 2,2-diethylpropane-1,3-diol is CCC(CC)(CO)CO.
What is the InChIKey of 2,2-diethylpropane-1,3-diol?
The InChIKey is XRVCFZPJAHWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3.
What are the key properties of 2,2-diethylpropane-1,3-diol?
2,2-diethylpropane-1,3-diol has a molecular weight of 132.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylpropane-1,3-diol is sourced from PubChem (CID 8284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).