5-ethylnonane-1,5-diol

C11H24O2 — CID 87121663

IUPAC5-ethylnonane-1,5-diol
SMILESCCCCC(O)(CC)CCCCO
InChIInChI=1S/C11H24O2/c1-3-5-8-11(13,4-2)9-6-7-10-12/h12-13H,3-10H2,1-2H3
InChIKeySWDWRGJYRJCRPL-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.48
Rot. Bonds8

About 5-ethylnonane-1,5-diol

5-ethylnonane-1,5-diol (PubChem CID 87121663) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-ethylnonane-1,5-diol.

Molecular Properties

Compound Name5-ethylnonane-1,5-diol
PubChem CID87121663
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name5-ethylnonane-1,5-diol
SMILESCCCCC(O)(CC)CCCCO
InChIInChI=1S/C11H24O2/c1-3-5-8-11(13,4-2)9-6-7-10-12/h12-13H,3-10H2,1-2H3
InChIKeySWDWRGJYRJCRPL-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-decyltetradecane-1,4-diol
CID 170650453
12-propylpentadecane-1,12-diol
CID 146590856
9-ethylheptadecan-9-ol
CID 86166082
2-heptylhexane-1,2,6-triol
CID 22481106
2-ethyltridecane-1,2-diol
CID 88923996
3-propyloctane-1,3-diol
CID 88923981
3-butyldecane-1,3-diol
CID 88924042
2-butyltetradecane-1,2-diol
CID 88924076
octane-1,5,5-triol
CID 173445302
4,4-dibutyloctan-1-ol
CID 58892760
hexane-1,6-diol;hexane-1,1,1-triol
CID 157140368
2-propyloctane-1,2-diol
CID 88923937

Frequently Asked Questions

What is the IUPAC name of 5-ethylnonane-1,5-diol?
The IUPAC name of 5-ethylnonane-1,5-diol (CID 87121663) is 5-ethylnonane-1,5-diol.
What is the SMILES notation for 5-ethylnonane-1,5-diol?
The canonical SMILES for 5-ethylnonane-1,5-diol is CCCCC(O)(CC)CCCCO.
What is the InChIKey of 5-ethylnonane-1,5-diol?
The InChIKey is SWDWRGJYRJCRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-3-5-8-11(13,4-2)9-6-7-10-12/h12-13H,3-10H2,1-2H3.
What are the key properties of 5-ethylnonane-1,5-diol?
5-ethylnonane-1,5-diol has a molecular weight of 188.31 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylnonane-1,5-diol is sourced from PubChem (CID 87121663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).