2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol

C19H32OSi — CID 86053089

IUPAC2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol
SMILESC#CC1CCCCCCCCCCC1(O)C#C[Si](C)(C)C
InChIInChI=1S/C19H32OSi/c1-5-18-14-12-10-8-6-7-9-11-13-15-19(18,20)16-17-21(2,3)4/h1,18,20H,6-15H2,2-4H3
InChIKeyBWPMZZPKBSLLIU-UHFFFAOYSA-N
MW304.55 g/mol
LogP4.76
Rot. Bonds

About 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol

2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol (PubChem CID 86053089) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol.

Molecular Properties

Compound Name2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol
PubChem CID86053089
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol
SMILESC#CC1CCCCCCCCCCC1(O)C#C[Si](C)(C)C
InChIInChI=1S/C19H32OSi/c1-5-18-14-12-10-8-6-7-9-11-13-15-19(18,20)16-17-21(2,3)4/h1,18,20H,6-15H2,2-4H3
InChIKeyBWPMZZPKBSLLIU-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Trimethylsilyl)-3-methyl-1-nonyn-3-ol
CID 15649677
(2S,3R)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
CID 14087111
17-Methyl-1-trimethylsilylpentacos-1-yn-3-ol
CID 91252750
(3S,4R)-2-methyl-4-(2-trimethylsilylethynyl)undecan-3-ol
CID 102080041
(2S,3S)-2-cyclohexyl-3-trimethylsilylheptan-3-ol
CID 134901155
2-[(1S,2R)-2-[butyl(dimethyl)silyl]cyclohexyl]propan-2-ol
CID 154711087
2-Cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-2-ol
CID 164669382
7-(2-Trimethylsilylethynyl)dodecan-6-ol
CID 15190947
Tert-butyl-(2-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane
CID 22150485
but-2-yne;2-[(1S,2R)-2-methylcyclopentyl]-4-trimethylsilylbut-3-yn-2-ol
CID 53910865
2-[(1S,2R)-2-methylcyclopentyl]-4-trimethylsilylbut-3-yn-2-ol
CID 53910866
4-(2-Trimethylsilylethynyl)dec-1-yn-4-ol
CID 54247316

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol?
The IUPAC name of 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol (CID 86053089) is 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol.
What is the SMILES notation for 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol?
The canonical SMILES for 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol is C#CC1CCCCCCCCCCC1(O)C#C[Si](C)(C)C.
What is the InChIKey of 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol?
The InChIKey is BWPMZZPKBSLLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OSi/c1-5-18-14-12-10-8-6-7-9-11-13-15-19(18,20)16-17-21(2,3)4/h1,18,20H,6-15H2,2-4H3.
What are the key properties of 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol?
2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol has a molecular weight of 304.55 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-1-(2-trimethylsilylethynyl)cyclododecan-1-ol is sourced from PubChem (CID 86053089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).