2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol

C7H16O4 — CID 18352070

IUPAC2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol
SMILESCC(C)(O)C(CO)OCCO
InChIInChI=1S/C7H16O4/c1-7(2,10)6(5-9)11-4-3-8/h6,8-10H,3-5H2,1-2H3
InChIKeyOVSGJKAYHGPGFN-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.87
Rot. Bonds5

About 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol

2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol (PubChem CID 18352070) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol
PubChem CID18352070
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol
SMILESCC(C)(O)C(CO)OCCO
InChIInChI=1S/C7H16O4/c1-7(2,10)6(5-9)11-4-3-8/h6,8-10H,3-5H2,1-2H3
InChIKeyOVSGJKAYHGPGFN-UHFFFAOYSA-N
XLogP-0.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol?
The IUPAC name of 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol (CID 18352070) is 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol.
What is the SMILES notation for 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol?
The canonical SMILES for 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol is CC(C)(O)C(CO)OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol?
The InChIKey is OVSGJKAYHGPGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-7(2,10)6(5-9)11-4-3-8/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol?
2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol has a molecular weight of 164.20 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-3-methylbutane-1,3-diol is sourced from PubChem (CID 18352070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).