1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol

C17H34O2Si2 — CID 138982718

IUPAC1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol
SMILESCC(C)C1(O)CCC(C#C[Si](C)(C)C)(O[Si](C)(C)C)CC1
InChIInChI=1S/C17H34O2Si2/c1-15(2)17(18)11-9-16(10-12-17,19-21(6,7)8)13-14-20(3,4)5/h15,18H,9-12H2,1-8H3
InChIKeyMHBBLESATVOWAI-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.42
Rot. Bonds3

About 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol

1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol (PubChem CID 138982718) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol.

Molecular Properties

Compound Name1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol
PubChem CID138982718
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol
SMILESCC(C)C1(O)CCC(C#C[Si](C)(C)C)(O[Si](C)(C)C)CC1
InChIInChI=1S/C17H34O2Si2/c1-15(2)17(18)11-9-16(10-12-17,19-21(6,7)8)13-14-20(3,4)5/h15,18H,9-12H2,1-8H3
InChIKeyMHBBLESATVOWAI-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,4-Bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol
CID 10902927
4-(4-Methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 20693738
4-(4-Propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 59309285
1-Cyclohexyl-2-methylpent-4-yn-2-ol;triethyl(triethylsilyloxy)silane
CID 88841064
4-[1-[Dimethylsilyloxy(methyl)silyl]propan-2-yl]-1-methylcyclohexan-1-ol
CID 173561934
4-[1-[Dimethylsilyloxy(dimethyl)silyl]propan-2-yl]-1-methylcyclohexan-1-ol
CID 173562191

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol?
The IUPAC name of 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol (CID 138982718) is 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol.
What is the SMILES notation for 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol?
The canonical SMILES for 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol is CC(C)C1(O)CCC(C#C[Si](C)(C)C)(O[Si](C)(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol?
The InChIKey is MHBBLESATVOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-15(2)17(18)11-9-16(10-12-17,19-21(6,7)8)13-14-20(3,4)5/h15,18H,9-12H2,1-8H3.
What are the key properties of 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol?
1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol has a molecular weight of 326.63 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-ol is sourced from PubChem (CID 138982718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).