3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol

C10H22O3 — CID 14512536

IUPAC3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COCC(C)(C)CO
InChIInChI=1S/C10H22O3/c1-9(2,5-11)7-13-8-10(3,4)6-12/h11-12H,5-8H2,1-4H3
InChIKeyGRFUBKQMUNOERA-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.04
Rot. Bonds6

About 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol

3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol (PubChem CID 14512536) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
PubChem CID14512536
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COCC(C)(C)CO
InChIInChI=1S/C10H22O3/c1-9(2,5-11)7-13-8-10(3,4)6-12/h11-12H,5-8H2,1-4H3
InChIKeyGRFUBKQMUNOERA-UHFFFAOYSA-N
XLogP1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol (CID 14512536) is 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol is CC(C)(CO)COCC(C)(C)CO.
What is the InChIKey of 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
The InChIKey is GRFUBKQMUNOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-9(2,5-11)7-13-8-10(3,4)6-12/h11-12H,5-8H2,1-4H3.
What are the key properties of 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol?
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol has a molecular weight of 190.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 14512536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).