3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol

C9H20O3 — CID 14795028

IUPAC3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCCC(CCO)(CCO)CCO
InChIInChI=1S/C9H20O3/c1-2-9(3-6-10,4-7-11)5-8-12/h10-12H,2-8H2,1H3
InChIKeyXDBVUAKSGMWTOQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.53
Rot. Bonds7

About 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol

3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol (PubChem CID 14795028) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
PubChem CID14795028
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
SMILESCCC(CCO)(CCO)CCO
InChIInChI=1S/C9H20O3/c1-2-9(3-6-10,4-7-11)5-8-12/h10-12H,2-8H2,1H3
InChIKeyXDBVUAKSGMWTOQ-UHFFFAOYSA-N
XLogP0.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The IUPAC name of 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol (CID 14795028) is 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol.
What is the SMILES notation for 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The canonical SMILES for 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol is CCC(CCO)(CCO)CCO.
What is the InChIKey of 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
The InChIKey is XDBVUAKSGMWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-2-9(3-6-10,4-7-11)5-8-12/h10-12H,2-8H2,1H3.
What are the key properties of 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol?
3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol has a molecular weight of 176.26 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol is sourced from PubChem (CID 14795028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).