4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol

C10H22O3 — CID 19422822

IUPAC4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol
SMILESCC(O)COC(C)C(O)C(C)(C)C
InChIInChI=1S/C10H22O3/c1-7(11)6-13-8(2)9(12)10(3,4)5/h7-9,11-12H,6H2,1-5H3
InChIKeyOOWZUJYPAJICGR-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.18
Rot. Bonds4

About 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol

4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol (PubChem CID 19422822) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol.

Molecular Properties

Compound Name4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol
PubChem CID19422822
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol
SMILESCC(O)COC(C)C(O)C(C)(C)C
InChIInChI=1S/C10H22O3/c1-7(11)6-13-8(2)9(12)10(3,4)5/h7-9,11-12H,6H2,1-5H3
InChIKeyOOWZUJYPAJICGR-UHFFFAOYSA-N
XLogP1.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol?
The IUPAC name of 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol (CID 19422822) is 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol.
What is the SMILES notation for 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol?
The canonical SMILES for 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol is CC(O)COC(C)C(O)C(C)(C)C.
What is the InChIKey of 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol?
The InChIKey is OOWZUJYPAJICGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-7(11)6-13-8(2)9(12)10(3,4)5/h7-9,11-12H,6H2,1-5H3.
What are the key properties of 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol?
4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol has a molecular weight of 190.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropoxy)-2,2-dimethylpentan-3-ol is sourced from PubChem (CID 19422822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).