5-methylnon-3-yne-1,5-diol

C10H18O2 — CID 15259

IUPAC5-methylnon-3-yne-1,5-diol
SMILESCCCCC(C)(O)C#CCCO
InChIInChI=1S/C10H18O2/c1-3-4-7-10(2,12)8-5-6-9-11/h11-12H,3-4,6-7,9H2,1-2H3
InChIKeyYUYLMLDCOVZUBJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.31
Rot. Bonds4

About 5-methylnon-3-yne-1,5-diol

5-methylnon-3-yne-1,5-diol (PubChem CID 15259) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-methylnon-3-yne-1,5-diol.

Molecular Properties

Compound Name5-methylnon-3-yne-1,5-diol
PubChem CID15259
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-methylnon-3-yne-1,5-diol
SMILESCCCCC(C)(O)C#CCCO
InChIInChI=1S/C10H18O2/c1-3-4-7-10(2,12)8-5-6-9-11/h11-12H,3-4,6-7,9H2,1-2H3
InChIKeyYUYLMLDCOVZUBJ-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.31
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

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5-Methyloct-3-yne-1,5-diol
CID 15261
3-Nonyne-1,5-diol, 5-ethyl-7-methyl-
CID 56817
4-Methyl-2-octyn-4-ol
CID 144663
1,4-Dimethylcyclododeca-5,11-diyne-1,4-diol
CID 85712065
Cyclopentanol, 1-(3-hydroxy-1-propynyl)-
CID 45079358
Dodec-6-yne-5,8-diol
CID 87149921
2,4,7,9-Tetramethyldec-5-yne-1,4,7-triol
CID 88184229
5-Ethylhept-2-yne-1,5-diol
CID 11126505
3,6-Dodecadiyn-1,11-diol
CID 20253402
2-t-Butylperoxy-4,7-dihydroxy-2,4-dimethyl-hept-5-yne
CID 12026280

Frequently Asked Questions

What is the IUPAC name of 5-methylnon-3-yne-1,5-diol?
The IUPAC name of 5-methylnon-3-yne-1,5-diol (CID 15259) is 5-methylnon-3-yne-1,5-diol.
What is the SMILES notation for 5-methylnon-3-yne-1,5-diol?
The canonical SMILES for 5-methylnon-3-yne-1,5-diol is CCCCC(C)(O)C#CCCO.
What is the InChIKey of 5-methylnon-3-yne-1,5-diol?
The InChIKey is YUYLMLDCOVZUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-7-10(2,12)8-5-6-9-11/h11-12H,3-4,6-7,9H2,1-2H3.
What are the key properties of 5-methylnon-3-yne-1,5-diol?
5-methylnon-3-yne-1,5-diol has a molecular weight of 170.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnon-3-yne-1,5-diol is sourced from PubChem (CID 15259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).