3-(2-hydroxyethyl)-3-methylpentane-1,5-diol

C8H18O3 — CID 13088375

IUPAC3-(2-hydroxyethyl)-3-methylpentane-1,5-diol
SMILESCC(CCO)(CCO)CCO
InChIInChI=1S/C8H18O3/c1-8(2-5-9,3-6-10)4-7-11/h9-11H,2-7H2,1H3
InChIKeyOENOEHZCGVEKHK-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.14
Rot. Bonds6

About 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol

3-(2-hydroxyethyl)-3-methylpentane-1,5-diol (PubChem CID 13088375) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-3-methylpentane-1,5-diol
PubChem CID13088375
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name3-(2-hydroxyethyl)-3-methylpentane-1,5-diol
SMILESCC(CCO)(CCO)CCO
InChIInChI=1S/C8H18O3/c1-8(2-5-9,3-6-10)4-7-11/h9-11H,2-7H2,1H3
InChIKeyOENOEHZCGVEKHK-UHFFFAOYSA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol?
The IUPAC name of 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol (CID 13088375) is 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol.
What is the SMILES notation for 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol?
The canonical SMILES for 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol is CC(CCO)(CCO)CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol?
The InChIKey is OENOEHZCGVEKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-8(2-5-9,3-6-10)4-7-11/h9-11H,2-7H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol?
3-(2-hydroxyethyl)-3-methylpentane-1,5-diol has a molecular weight of 162.23 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-3-methylpentane-1,5-diol is sourced from PubChem (CID 13088375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).