2,6,6-trimethylundec-3-yn-2-ol

C14H26O — CID 22961919

IUPAC2,6,6-trimethylundec-3-yn-2-ol
SMILESCCCCCC(C)(C)CC#CC(C)(C)O
InChIInChI=1S/C14H26O/c1-6-7-8-10-13(2,3)11-9-12-14(4,5)15/h15H,6-8,10-11H2,1-5H3
InChIKeyHENKQSJQJJINEV-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.76
Rot. Bonds5

About 2,6,6-trimethylundec-3-yn-2-ol

2,6,6-trimethylundec-3-yn-2-ol (PubChem CID 22961919) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,6,6-trimethylundec-3-yn-2-ol.

Molecular Properties

Compound Name2,6,6-trimethylundec-3-yn-2-ol
PubChem CID22961919
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,6,6-trimethylundec-3-yn-2-ol
SMILESCCCCCC(C)(C)CC#CC(C)(C)O
InChIInChI=1S/C14H26O/c1-6-7-8-10-13(2,3)11-9-12-14(4,5)15/h15H,6-8,10-11H2,1-5H3
InChIKeyHENKQSJQJJINEV-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.76
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

5,5,6-Trimethylundec-3-yne-2,2-diol
CID 20837618
3,3,4,4-Tetramethyldec-1-yn-1-ol
CID 21951185
3,3,4-Trimethyldodec-1-yn-1-ol
CID 87560494
3-Hexadecyl-3-octadecylhenicos-1-yn-1-ol
CID 88650940
12,12-Dimethyltridec-1-yn-1-ol
CID 140556520
5,7-Dimethyl-5-(2-methylpropyl)oct-3-yne-2,2-diol
CID 145724828
3-Methyl-3-propylhept-1-yn-1-ol
CID 150195189
3,3,7-Trimethyldodec-1-yn-1-ol
CID 151233955
3-Nonyl-3-propyldodec-1-yn-1-ol
CID 151368847
2,15,15-Trimethylhexadec-4-yn-2-ol
CID 151650895
3-Methyl-3-propylhex-1-yn-1-ol
CID 151701950
5,5,6,6-Tetramethylundec-3-yne-2,2-diol
CID 151913068

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylundec-3-yn-2-ol?
The IUPAC name of 2,6,6-trimethylundec-3-yn-2-ol (CID 22961919) is 2,6,6-trimethylundec-3-yn-2-ol.
What is the SMILES notation for 2,6,6-trimethylundec-3-yn-2-ol?
The canonical SMILES for 2,6,6-trimethylundec-3-yn-2-ol is CCCCCC(C)(C)CC#CC(C)(C)O.
What is the InChIKey of 2,6,6-trimethylundec-3-yn-2-ol?
The InChIKey is HENKQSJQJJINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-7-8-10-13(2,3)11-9-12-14(4,5)15/h15H,6-8,10-11H2,1-5H3.
What are the key properties of 2,6,6-trimethylundec-3-yn-2-ol?
2,6,6-trimethylundec-3-yn-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylundec-3-yn-2-ol is sourced from PubChem (CID 22961919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).