nonadeca-6,9,12-triyne-1,19-diol

C19H28O2 — CID 171715193

IUPACnonadeca-6,9,12-triyne-1,19-diol
SMILESOCCCCCC#CCC#CCC#CCCCCCCO
InChIInChI=1S/C19H28O2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20-21H,2,5,8,10-19H2
InChIKeyRTZDSVCAQICEFZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.27
Rot. Bonds9

About nonadeca-6,9,12-triyne-1,19-diol

nonadeca-6,9,12-triyne-1,19-diol (PubChem CID 171715193) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is nonadeca-6,9,12-triyne-1,19-diol.

Molecular Properties

Compound Namenonadeca-6,9,12-triyne-1,19-diol
PubChem CID171715193
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Namenonadeca-6,9,12-triyne-1,19-diol
SMILESOCCCCCC#CCC#CCC#CCCCCCCO
InChIInChI=1S/C19H28O2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20-21H,2,5,8,10-19H2
InChIKeyRTZDSVCAQICEFZ-UHFFFAOYSA-N
XLogP3.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.27
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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non-2-yne-1,9-diol
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nona-2,5-diyne-1,9-diol
CID 175119403
undec-7-yn-1-ol
CID 10909966
16-hydroxyhexadeca-5,8,11-triynoic acid
CID 123580508
heptadec-8-yn-1-ol
CID 10491053
non-6-yn-1-ol
CID 3017913
tetradec-5-yn-1-ol
CID 15730841
henicosa-3,6,9-triyn-1-ol
CID 23255046
undec-5-yn-1-ol
CID 13113234
16-methylheptadec-9-yn-1-ol
CID 139685111
19-methylicos-11-yn-1-ol
CID 141402003

Frequently Asked Questions

What is the IUPAC name of nonadeca-6,9,12-triyne-1,19-diol?
The IUPAC name of nonadeca-6,9,12-triyne-1,19-diol (CID 171715193) is nonadeca-6,9,12-triyne-1,19-diol.
What is the SMILES notation for nonadeca-6,9,12-triyne-1,19-diol?
The canonical SMILES for nonadeca-6,9,12-triyne-1,19-diol is OCCCCCC#CCC#CCC#CCCCCCCO.
What is the InChIKey of nonadeca-6,9,12-triyne-1,19-diol?
The InChIKey is RTZDSVCAQICEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h20-21H,2,5,8,10-19H2.
What are the key properties of nonadeca-6,9,12-triyne-1,19-diol?
nonadeca-6,9,12-triyne-1,19-diol has a molecular weight of 288.43 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-6,9,12-triyne-1,19-diol is sourced from PubChem (CID 171715193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).