1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol

C17H32OSi — CID 91092445

IUPAC1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol
SMILESCC(C)[Si](C#CC1(O)CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-14(2)19(15(3)4,16(5)6)13-12-17(18)10-8-7-9-11-17/h14-16,18H,7-11H2,1-6H3
InChIKeyLWAVQDFBUUFKJM-UHFFFAOYSA-N
MW280.53 g/mol
LogP4.90
Rot. Bonds3

About 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol

1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol (PubChem CID 91092445) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol
PubChem CID91092445
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol
SMILESCC(C)[Si](C#CC1(O)CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-14(2)19(15(3)4,16(5)6)13-12-17(18)10-8-7-9-11-17/h14-16,18H,7-11H2,1-6H3
InChIKeyLWAVQDFBUUFKJM-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 54.90
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-(((Chloromethyl)dimethylsilyl)ethynyl)-cyclohexanol
CID 99375
5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
2-Fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 70075127
4,4-Difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 163363990
1-Trimethylsilylmethylcyclohexanol
CID 4128986
Dimethyl-trimethylsilyloxy-[2-(1-trimethylsilyloxycyclohexyl)ethynyl]silane
CID 68852263
Trimethyl-[1-[2-[methyl-bis(trimethylsilyloxy)silyl]ethynyl]cyclohexyl]oxysilane
CID 68852351
1-(3-Methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
CID 10243305
Cyclohexanol, 1-[3-(trimethylsilyl)-1-propynyl]-
CID 10856759
1,4-Bis(2-trimethylsilylethynyl)cyclohexane-1,4-diol
CID 10902927
cis-(1S,3S)-1-methyl-3-trimethylsilylcyclohexan-1-ol
CID 11074122

Frequently Asked Questions

What is the IUPAC name of 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol (CID 91092445) is 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol is CC(C)[Si](C#CC1(O)CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol?
The InChIKey is LWAVQDFBUUFKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-14(2)19(15(3)4,16(5)6)13-12-17(18)10-8-7-9-11-17/h14-16,18H,7-11H2,1-6H3.
What are the key properties of 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol?
1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol has a molecular weight of 280.53 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-ol is sourced from PubChem (CID 91092445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).