2,15,15-trimethylhexadec-4-yn-2-ol

C19H36O — CID 151650895

IUPAC2,15,15-trimethylhexadec-4-yn-2-ol
SMILESCC(C)(C)CCCCCCCCCC#CCC(C)(C)O
InChIInChI=1S/C19H36O/c1-18(2,3)16-14-12-10-8-6-7-9-11-13-15-17-19(4,5)20/h20H,6-12,14,16-17H2,1-5H3
InChIKeyQUMJCUNQOVWJLF-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.71
Rot. Bonds9

About 2,15,15-trimethylhexadec-4-yn-2-ol

2,15,15-trimethylhexadec-4-yn-2-ol (PubChem CID 151650895) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,15,15-trimethylhexadec-4-yn-2-ol.

Molecular Properties

Compound Name2,15,15-trimethylhexadec-4-yn-2-ol
PubChem CID151650895
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name2,15,15-trimethylhexadec-4-yn-2-ol
SMILESCC(C)(C)CCCCCCCCCC#CCC(C)(C)O
InChIInChI=1S/C19H36O/c1-18(2,3)16-14-12-10-8-6-7-9-11-13-15-17-19(4,5)20/h20H,6-12,14,16-17H2,1-5H3
InChIKeyQUMJCUNQOVWJLF-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.71
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

3-Hydroxy-3-methyl-4-heneicosyne
CID 12021387
3-Hydroxy-2,2,3-tri-methyl-4-heneicosyne
CID 12021388
2,6,6-Trimethylundec-3-yn-2-ol
CID 22961919
4,5,5-Trimethylheptadec-2-yn-4-ol
CID 87865992
3-Hexadecyl-3-octadecylhenicos-1-yn-1-ol
CID 88650940
12,12-Dimethyltridec-1-yn-1-ol
CID 140556520
3-Nonyl-3-propyldodec-1-yn-1-ol
CID 151368847
8-Tert-butylpentadeca-6,9-diyn-8-OL
CID 71370532

Frequently Asked Questions

What is the IUPAC name of 2,15,15-trimethylhexadec-4-yn-2-ol?
The IUPAC name of 2,15,15-trimethylhexadec-4-yn-2-ol (CID 151650895) is 2,15,15-trimethylhexadec-4-yn-2-ol.
What is the SMILES notation for 2,15,15-trimethylhexadec-4-yn-2-ol?
The canonical SMILES for 2,15,15-trimethylhexadec-4-yn-2-ol is CC(C)(C)CCCCCCCCCC#CCC(C)(C)O.
What is the InChIKey of 2,15,15-trimethylhexadec-4-yn-2-ol?
The InChIKey is QUMJCUNQOVWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-18(2,3)16-14-12-10-8-6-7-9-11-13-15-17-19(4,5)20/h20H,6-12,14,16-17H2,1-5H3.
What are the key properties of 2,15,15-trimethylhexadec-4-yn-2-ol?
2,15,15-trimethylhexadec-4-yn-2-ol has a molecular weight of 280.50 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15,15-trimethylhexadec-4-yn-2-ol is sourced from PubChem (CID 151650895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).