5-(2-methylprop-1-enylidene)non-3-yn-1-ol

C13H20O — CID 11063264

IUPAC5-(2-methylprop-1-enylidene)non-3-yn-1-ol
SMILESCCCCC(=C=C(C)C)C#CCCO
InChIInChI=1S/C13H20O/c1-4-5-8-13(11-12(2)3)9-6-7-10-14/h14H,4-5,7-8,10H2,1-3H3
InChIKeyMSYJSYAIGZODCF-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.05
Rot. Bonds4

About 5-(2-methylprop-1-enylidene)non-3-yn-1-ol

5-(2-methylprop-1-enylidene)non-3-yn-1-ol (PubChem CID 11063264) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-(2-methylprop-1-enylidene)non-3-yn-1-ol.

Molecular Properties

Compound Name5-(2-methylprop-1-enylidene)non-3-yn-1-ol
PubChem CID11063264
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-(2-methylprop-1-enylidene)non-3-yn-1-ol
SMILESCCCCC(=C=C(C)C)C#CCCO
InChIInChI=1S/C13H20O/c1-4-5-8-13(11-12(2)3)9-6-7-10-14/h14H,4-5,7-8,10H2,1-3H3
InChIKeyMSYJSYAIGZODCF-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-1-enylidene)nonanenitrile
CID 134995138
undeca-3,5-diyn-1-ol
CID 15306342
2,2-dimethyl-3-(2-methylprop-1-enylidene)heptan-1-ol
CID 101484213
henicosa-3,6,9-triyn-1-ol
CID 23255046
undec-6-yn-5-one
CID 11240698
methanesulfonic acid;oct-3-yn-1-ol
CID 71327437
(Z)-5-methylundec-4-en-6-yn-3-ol
CID 10511599
8-butyl-7-hex-1-ynylpentadec-7-en-5,9-diyne
CID 135010412
undec-5-yn-1-ol
CID 13113234
gold;pentan-1-ol
CID 152701196
undec-3-yn-2-one
CID 15626863
tetradec-5-yn-1-ol
CID 15730841

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-1-enylidene)non-3-yn-1-ol?
The IUPAC name of 5-(2-methylprop-1-enylidene)non-3-yn-1-ol (CID 11063264) is 5-(2-methylprop-1-enylidene)non-3-yn-1-ol.
What is the SMILES notation for 5-(2-methylprop-1-enylidene)non-3-yn-1-ol?
The canonical SMILES for 5-(2-methylprop-1-enylidene)non-3-yn-1-ol is CCCCC(=C=C(C)C)C#CCCO.
What is the InChIKey of 5-(2-methylprop-1-enylidene)non-3-yn-1-ol?
The InChIKey is MSYJSYAIGZODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-8-13(11-12(2)3)9-6-7-10-14/h14H,4-5,7-8,10H2,1-3H3.
What are the key properties of 5-(2-methylprop-1-enylidene)non-3-yn-1-ol?
5-(2-methylprop-1-enylidene)non-3-yn-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-1-enylidene)non-3-yn-1-ol is sourced from PubChem (CID 11063264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).