3-ethylnon-8-yne-4,5-diol

C11H20O2 — CID 103459637

IUPAC3-ethylnon-8-yne-4,5-diol
SMILESC#CCCC(O)C(O)C(CC)CC
InChIInChI=1S/C11H20O2/c1-4-7-8-10(12)11(13)9(5-2)6-3/h1,9-13H,5-8H2,2-3H3
InChIKeyCGKFTQHPVMUPIY-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.56
Rot. Bonds6

About 3-ethylnon-8-yne-4,5-diol

3-ethylnon-8-yne-4,5-diol (PubChem CID 103459637) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethylnon-8-yne-4,5-diol.

Molecular Properties

Compound Name3-ethylnon-8-yne-4,5-diol
PubChem CID103459637
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethylnon-8-yne-4,5-diol
SMILESC#CCCC(O)C(O)C(CC)CC
InChIInChI=1S/C11H20O2/c1-4-7-8-10(12)11(13)9(5-2)6-3/h1,9-13H,5-8H2,2-3H3
InChIKeyCGKFTQHPVMUPIY-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S)-hexadec-1-yne-5,6-diol
CID 11196120
(2R,3R)-hept-6-yne-1,2,3-triol
CID 10877233
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346
2-methylsulfonylhept-6-yn-3-ol
CID 115799455
dodec-1-yne-5,8-diol
CID 87593549
3-methyloct-7-yne-3,4-diol
CID 103448564
4-ethylhexane-1,3-diol
CID 57229845
5-ethylpentadecane-6,7-diol
CID 123906465
5-ethyltetradecane-6,7-diol
CID 22726226
(2R)-1-aminohex-5-yn-2-ol
CID 97030752
3-ethoxy-3-ethyloct-7-yn-4-ol
CID 116752445
2-methoxy-2-methylhept-6-yn-3-ol
CID 79197065

Frequently Asked Questions

What is the IUPAC name of 3-ethylnon-8-yne-4,5-diol?
The IUPAC name of 3-ethylnon-8-yne-4,5-diol (CID 103459637) is 3-ethylnon-8-yne-4,5-diol.
What is the SMILES notation for 3-ethylnon-8-yne-4,5-diol?
The canonical SMILES for 3-ethylnon-8-yne-4,5-diol is C#CCCC(O)C(O)C(CC)CC.
What is the InChIKey of 3-ethylnon-8-yne-4,5-diol?
The InChIKey is CGKFTQHPVMUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-8-10(12)11(13)9(5-2)6-3/h1,9-13H,5-8H2,2-3H3.
What are the key properties of 3-ethylnon-8-yne-4,5-diol?
3-ethylnon-8-yne-4,5-diol has a molecular weight of 184.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylnon-8-yne-4,5-diol is sourced from PubChem (CID 103459637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).