3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol

C7H14O3 — CID 58782702

IUPAC3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol
SMILESCC(=CO)COCC(C)O
InChIInChI=1S/C7H14O3/c1-6(3-8)4-10-5-7(2)9/h3,7-9H,4-5H2,1-2H3
InChIKeyBDGHJGNHOCHPSH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.85
Rot. Bonds4

About 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol

3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol (PubChem CID 58782702) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol.

Molecular Properties

Compound Name3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol
PubChem CID58782702
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol
SMILESCC(=CO)COCC(C)O
InChIInChI=1S/C7H14O3/c1-6(3-8)4-10-5-7(2)9/h3,7-9H,4-5H2,1-2H3
InChIKeyBDGHJGNHOCHPSH-UHFFFAOYSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol?
The IUPAC name of 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol (CID 58782702) is 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol.
What is the SMILES notation for 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol?
The canonical SMILES for 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol is CC(=CO)COCC(C)O.
What is the InChIKey of 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol?
The InChIKey is BDGHJGNHOCHPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(3-8)4-10-5-7(2)9/h3,7-9H,4-5H2,1-2H3.
What are the key properties of 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol?
3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol has a molecular weight of 146.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropoxy)-2-methylprop-1-en-1-ol is sourced from PubChem (CID 58782702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).