5-ethylnonane-1,2,3-triol;pentane-1,3-diol

C16H36O5 — CID 87704146

IUPAC5-ethylnonane-1,2,3-triol;pentane-1,3-diol
SMILESCCC(O)CCO.CCCCC(CC)CC(O)C(O)CO
InChIInChI=1S/C11H24O3.C5H12O2/c1-3-5-6-9(4-2)7-10(13)11(14)8-12;1-2-5(7)3-4-6/h9-14H,3-8H2,1-2H3;5-7H,2-4H2,1H3
InChIKeyOONUANPCCDVHHJ-UHFFFAOYSA-N
MW308.46 g/mol
LogP1.45
Rot. Bonds11

About 5-ethylnonane-1,2,3-triol;pentane-1,3-diol

5-ethylnonane-1,2,3-triol;pentane-1,3-diol (PubChem CID 87704146) has the molecular formula C16H36O5 and a molecular weight of 308.46 g/mol. Its IUPAC name is 5-ethylnonane-1,2,3-triol;pentane-1,3-diol.

Molecular Properties

Compound Name5-ethylnonane-1,2,3-triol;pentane-1,3-diol
PubChem CID87704146
Molecular FormulaC16H36O5
Molecular Weight308.46 g/mol
Exact Mass308.26
IUPAC Name5-ethylnonane-1,2,3-triol;pentane-1,3-diol
SMILESCCC(O)CCO.CCCCC(CC)CC(O)C(O)CO
InChIInChI=1S/C11H24O3.C5H12O2/c1-3-5-6-9(4-2)7-10(13)11(14)8-12;1-2-5(7)3-4-6/h9-14H,3-8H2,1-2H3;5-7H,2-4H2,1H3
InChIKeyOONUANPCCDVHHJ-UHFFFAOYSA-N
XLogP1.45
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 51.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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5-ethylnonane-2,3-diol
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6-ethyl-2,3-dimethyldecan-4-ol
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4-ethyltridecane-1,2-diol
CID 174824955
(6R,9R)-3,9-diethyltridecan-6-ol
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(2R,4S)-4-ethyloctan-2-ol
CID 7015159
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
azane;3-ethylhenicosan-1-ol
CID 174815540
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
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CID 22477032

Frequently Asked Questions

What is the IUPAC name of 5-ethylnonane-1,2,3-triol;pentane-1,3-diol?
The IUPAC name of 5-ethylnonane-1,2,3-triol;pentane-1,3-diol (CID 87704146) is 5-ethylnonane-1,2,3-triol;pentane-1,3-diol.
What is the SMILES notation for 5-ethylnonane-1,2,3-triol;pentane-1,3-diol?
The canonical SMILES for 5-ethylnonane-1,2,3-triol;pentane-1,3-diol is CCC(O)CCO.CCCCC(CC)CC(O)C(O)CO.
What is the InChIKey of 5-ethylnonane-1,2,3-triol;pentane-1,3-diol?
The InChIKey is OONUANPCCDVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3.C5H12O2/c1-3-5-6-9(4-2)7-10(13)11(14)8-12;1-2-5(7)3-4-6/h9-14H,3-8H2,1-2H3;5-7H,2-4H2,1H3.
What are the key properties of 5-ethylnonane-1,2,3-triol;pentane-1,3-diol?
5-ethylnonane-1,2,3-triol;pentane-1,3-diol has a molecular weight of 308.46 g/mol, XLogP of 1.45, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylnonane-1,2,3-triol;pentane-1,3-diol is sourced from PubChem (CID 87704146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).