4-(2-hydroxyethyl)octane-1,5-diol

C10H22O3 — CID 173344574

IUPAC4-(2-hydroxyethyl)octane-1,5-diol
SMILESCCCC(O)C(CCO)CCCO
InChIInChI=1S/C10H22O3/c1-2-4-10(13)9(6-8-12)5-3-7-11/h9-13H,2-8H2,1H3
InChIKeyMMWGSTPHEKXPKN-UHFFFAOYSA-N
MW190.28 g/mol
LogP0.92
Rot. Bonds8

About 4-(2-hydroxyethyl)octane-1,5-diol

4-(2-hydroxyethyl)octane-1,5-diol (PubChem CID 173344574) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)octane-1,5-diol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)octane-1,5-diol
PubChem CID173344574
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name4-(2-hydroxyethyl)octane-1,5-diol
SMILESCCCC(O)C(CCO)CCCO
InChIInChI=1S/C10H22O3/c1-2-4-10(13)9(6-8-12)5-3-7-11/h9-13H,2-8H2,1H3
InChIKeyMMWGSTPHEKXPKN-UHFFFAOYSA-N
XLogP0.92
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-butylnonan-4-ol
CID 173066814
3-butylnonane-1,4-diol
CID 87416344
11-octadecylicosane-1,10,20-triol
CID 174674177
2-butylhexane-1,3-diol
CID 18522832
nonane-1,5,6-triol
CID 174941867
4-ethyloctane-1,3-diol
CID 57022453
octane-1,3,4,5-tetrol
CID 18506400
3-octyl-4-propylhexane-1,6-diol
CID 154092864
4-ethylnonadecane-1,3-diol
CID 57082750
5-butylundecan-6-ol
CID 89253058
2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531
ethane-1,2-diol;2-ethylhexane-1,3-diol;propane
CID 174469450

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)octane-1,5-diol?
The IUPAC name of 4-(2-hydroxyethyl)octane-1,5-diol (CID 173344574) is 4-(2-hydroxyethyl)octane-1,5-diol.
What is the SMILES notation for 4-(2-hydroxyethyl)octane-1,5-diol?
The canonical SMILES for 4-(2-hydroxyethyl)octane-1,5-diol is CCCC(O)C(CCO)CCCO.
What is the InChIKey of 4-(2-hydroxyethyl)octane-1,5-diol?
The InChIKey is MMWGSTPHEKXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-2-4-10(13)9(6-8-12)5-3-7-11/h9-13H,2-8H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)octane-1,5-diol?
4-(2-hydroxyethyl)octane-1,5-diol has a molecular weight of 190.28 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)octane-1,5-diol is sourced from PubChem (CID 173344574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).