nonadeca-1,4,6-triyn-3-ol

C19H28O — CID 138979996

IUPACnonadeca-1,4,6-triyn-3-ol
SMILESC#CC(O)C#CC#CCCCCCCCCCCCC
InChIInChI=1S/C19H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h2,19-20H,3,5-14H2,1H3
InChIKeyLOKGUAKRMXAIPQ-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.30
Rot. Bonds10

About nonadeca-1,4,6-triyn-3-ol

nonadeca-1,4,6-triyn-3-ol (PubChem CID 138979996) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is nonadeca-1,4,6-triyn-3-ol.

Molecular Properties

Compound Namenonadeca-1,4,6-triyn-3-ol
PubChem CID138979996
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Namenonadeca-1,4,6-triyn-3-ol
SMILESC#CC(O)C#CC#CCCCCCCCCCCCC
InChIInChI=1S/C19H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h2,19-20H,3,5-14H2,1H3
InChIKeyLOKGUAKRMXAIPQ-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(3S,18R)-icosa-1,4,16,19-tetrayne-3,18-diol
CID 138980307
(3R)-2-methyltricosa-4,6,8-triyn-3-ol
CID 53475583
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
2-methylundeca-3,5-diyne
CID 90780674
heptadeca-4,6-diyne-1,8-diol
CID 175955056
dodeca-2,4-diyn-1-ol
CID 11816199
(2S)-heptadec-3-yn-2-ol
CID 58473313
(2R)-dec-3-yn-2-ol
CID 129384454
(3R)-2-methylundeca-4,6-diyn-3-ol
CID 53475577
undeca-3,5-diyn-1-ol
CID 15306342
heptacos-10-yn-9-ol
CID 11058298

Frequently Asked Questions

What is the IUPAC name of nonadeca-1,4,6-triyn-3-ol?
The IUPAC name of nonadeca-1,4,6-triyn-3-ol (CID 138979996) is nonadeca-1,4,6-triyn-3-ol.
What is the SMILES notation for nonadeca-1,4,6-triyn-3-ol?
The canonical SMILES for nonadeca-1,4,6-triyn-3-ol is C#CC(O)C#CC#CCCCCCCCCCCCC.
What is the InChIKey of nonadeca-1,4,6-triyn-3-ol?
The InChIKey is LOKGUAKRMXAIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)4-2/h2,19-20H,3,5-14H2,1H3.
What are the key properties of nonadeca-1,4,6-triyn-3-ol?
nonadeca-1,4,6-triyn-3-ol has a molecular weight of 272.43 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonadeca-1,4,6-triyn-3-ol is sourced from PubChem (CID 138979996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).