19-methylicos-11-yn-1-ol

C21H40O — CID 141402003

IUPAC19-methylicos-11-yn-1-ol
SMILESCC(C)CCCCCCC#CCCCCCCCCCCO
InChIInChI=1S/C21H40O/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22/h21-22H,3-4,6,8-20H2,1-2H3
InChIKeyHGBFRMYRZJCKTB-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.49
Rot. Bonds15

About 19-methylicos-11-yn-1-ol

19-methylicos-11-yn-1-ol (PubChem CID 141402003) has the molecular formula C21H40O and a molecular weight of 308.55 g/mol. Its IUPAC name is 19-methylicos-11-yn-1-ol.

Molecular Properties

Compound Name19-methylicos-11-yn-1-ol
PubChem CID141402003
Molecular FormulaC21H40O
Molecular Weight308.55 g/mol
Exact Mass308.31
IUPAC Name19-methylicos-11-yn-1-ol
SMILESCC(C)CCCCCCC#CCCCCCCCCCCO
InChIInChI=1S/C21H40O/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22/h21-22H,3-4,6,8-20H2,1-2H3
InChIKeyHGBFRMYRZJCKTB-UHFFFAOYSA-N
XLogP6.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.49
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

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sodium;hydride;8-methylnonan-1-ol
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3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
CID 6335748
CID 6335748
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
tris(5-methylhexan-1-ol);titanium;dihydrate
CID 175523388
17-methyloctadecane-1,11-diol
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17-methyloctadec-2-yne
CID 123546762

Frequently Asked Questions

What is the IUPAC name of 19-methylicos-11-yn-1-ol?
The IUPAC name of 19-methylicos-11-yn-1-ol (CID 141402003) is 19-methylicos-11-yn-1-ol.
What is the SMILES notation for 19-methylicos-11-yn-1-ol?
The canonical SMILES for 19-methylicos-11-yn-1-ol is CC(C)CCCCCCC#CCCCCCCCCCCO.
What is the InChIKey of 19-methylicos-11-yn-1-ol?
The InChIKey is HGBFRMYRZJCKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22/h21-22H,3-4,6,8-20H2,1-2H3.
What are the key properties of 19-methylicos-11-yn-1-ol?
19-methylicos-11-yn-1-ol has a molecular weight of 308.55 g/mol, XLogP of 6.49, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methylicos-11-yn-1-ol is sourced from PubChem (CID 141402003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).