1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol

C18H32OSi — CID 12885230

IUPAC1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol
SMILESCC(C)[Si](C#CCC1(O)C=CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-15(2)20(16(3)4,17(5)6)14-10-13-18(19)11-8-7-9-12-18/h8,11,15-17,19H,7,9,12-13H2,1-6H3
InChIKeyUKSVXGWPPLKZSU-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.07
Rot. Bonds4

About 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol

1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol (PubChem CID 12885230) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol
PubChem CID12885230
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol
SMILESCC(C)[Si](C#CCC1(O)C=CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-15(2)20(16(3)4,17(5)6)14-10-13-18(19)11-8-7-9-12-18/h8,11,15-17,19H,7,9,12-13H2,1-6H3
InChIKeyUKSVXGWPPLKZSU-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1-trimethylsilyloct-1-enyl]cyclohexan-1-ol
CID 11098034
Trimethylsilylethynyl-2-cyclopentenol
CID 129695433
1-[(Z)-1-tributylstannyl-3-trimethylsilylprop-1-enyl]cyclohexan-1-ol
CID 13736821
(1R,6S)-2-methyl-1-prop-2-enyl-6-triethylsilylcyclohex-2-en-1-ol
CID 101398678
6-Methyl-3-(2-methyl-2-trimethylsilylpropyl)-4-hexene-1-yn-3-ol
CID 129708269
1-[(E)-2-trimethylsilylethenyl]cyclohex-2-en-1-ol
CID 162411359
2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol
CID 10693360
1-(3-Trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 11252554
1-(2-Trimethylsilylethynyl)cyclohex-2-en-1-ol
CID 46176726
1-(1-Trimethylsilyloct-1-enyl)cyclohexan-1-ol
CID 85398015
2-Methyl-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 172756628
1-(2-Trimethylsilylethynyl)cyclohept-2-en-1-ol
CID 172843730

Frequently Asked Questions

What is the IUPAC name of 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol?
The IUPAC name of 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol (CID 12885230) is 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol?
The canonical SMILES for 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol is CC(C)[Si](C#CCC1(O)C=CCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol?
The InChIKey is UKSVXGWPPLKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-15(2)20(16(3)4,17(5)6)14-10-13-18(19)11-8-7-9-12-18/h8,11,15-17,19H,7,9,12-13H2,1-6H3.
What are the key properties of 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol?
1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol has a molecular weight of 292.54 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 12885230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).