non-3-yne-1,2-diol

C9H16O2 — CID 72760493

IUPACnon-3-yne-1,2-diol
SMILESCCCCCC#CC(O)CO
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-9(11)8-10/h9-11H,2-5,8H2,1H3
InChIKeyNKOPGDIKXOZSII-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.92
Rot. Bonds4

About non-3-yne-1,2-diol

non-3-yne-1,2-diol (PubChem CID 72760493) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is non-3-yne-1,2-diol.

Molecular Properties

Compound Namenon-3-yne-1,2-diol
PubChem CID72760493
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenon-3-yne-1,2-diol
SMILESCCCCCC#CC(O)CO
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-9(11)8-10/h9-11H,2-5,8H2,1H3
InChIKeyNKOPGDIKXOZSII-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-heptadec-3-yn-2-ol
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icosa-6,15-diyn-5-ol
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(2R,3S)-2-aminooctadec-4-yne-1,3-diol
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(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
4-hydroxytetradec-5-ynoate
CID 19734163
1-(2-hydroxybutoxy)dec-3-yn-2-ol
CID 139254011
2,2-dimethylheptadec-4-yn-3-ol
CID 177304706
7-hydroxydodec-5-ynoic acid
CID 169494808
(2R,3S)-2,3-dihydroxydec-4-ynoic acid
CID 163006960

Frequently Asked Questions

What is the IUPAC name of non-3-yne-1,2-diol?
The IUPAC name of non-3-yne-1,2-diol (CID 72760493) is non-3-yne-1,2-diol.
What is the SMILES notation for non-3-yne-1,2-diol?
The canonical SMILES for non-3-yne-1,2-diol is CCCCCC#CC(O)CO.
What is the InChIKey of non-3-yne-1,2-diol?
The InChIKey is NKOPGDIKXOZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-7-9(11)8-10/h9-11H,2-5,8H2,1H3.
What are the key properties of non-3-yne-1,2-diol?
non-3-yne-1,2-diol has a molecular weight of 156.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-3-yne-1,2-diol is sourced from PubChem (CID 72760493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).