1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol

C14H26OSi — CID 10243305

IUPAC1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
SMILESCC(C)(C#CC1(O)CCCCC1)[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-13(2,16(3,4)5)11-12-14(15)9-7-6-8-10-14/h15H,6-10H2,1-5H3
InChIKeyVMPIVSNQPHDRLA-UHFFFAOYSA-N
MW238.45 g/mol
LogP3.80
Rot. Bonds1

About 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol

1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol (PubChem CID 10243305) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
PubChem CID10243305
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
SMILESCC(C)(C#CC1(O)CCCCC1)[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-13(2,16(3,4)5)11-12-14(15)9-7-6-8-10-14/h15H,6-10H2,1-5H3
InChIKeyVMPIVSNQPHDRLA-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 53.80
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-Trimethylsilanylethynyl-cyclohexanol
CID 205445
1-(Hex-1-yn-1-yl)cyclohexan-1-ol
CID 10997643
1-(((Chloromethyl)dimethylsilyl)ethynyl)-cyclohexanol
CID 99375
Silane, [(1-ethynylcyclohexyl)oxy]trimethyl-
CID 552482
Silane, trimethyl[[1-[(trimethylsilyl)ethynyl]cyclohexyl]oxy]-
CID 553519
5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
Triethyl[(1-ethynylcyclohexyl)oxy]silane
CID 12489717
1-(3,3-Dimethyl-1-butyn-1-yl)cyclohexanol
CID 13419506
1-(But-1-yn-1-yl)cyclohexan-1-ol
CID 13664616
1-(Trimethylsilyl)-3-methyl-1-nonyn-3-ol
CID 15649677
2-Fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 70075127
4,4-Difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 163363990

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol (CID 10243305) is 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol is CC(C)(C#CC1(O)CCCCC1)[Si](C)(C)C.
What is the InChIKey of 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol?
The InChIKey is VMPIVSNQPHDRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-13(2,16(3,4)5)11-12-14(15)9-7-6-8-10-14/h15H,6-10H2,1-5H3.
What are the key properties of 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol?
1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol has a molecular weight of 238.45 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 10243305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).