2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane

C17H34OSi — CID 101047588

IUPAC2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane
SMILESCCCC[C@@H](COCC[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H34OSi/c1-5-6-10-17(16-11-8-7-9-12-16)15-18-13-14-19(2,3)4/h11,17H,5-10,12-15H2,1-4H3/t17-/m0/s1
InChIKeyWQSVDOIICGWMKB-KRWDZBQOSA-N
MW282.54 g/mol
LogP5.65
Rot. Bonds9

About 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane

2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane (PubChem CID 101047588) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane
PubChem CID101047588
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Name2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane
SMILESCCCC[C@@H](COCC[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C17H34OSi/c1-5-6-10-17(16-11-8-7-9-12-16)15-18-13-14-19(2,3)4/h11,17H,5-10,12-15H2,1-4H3/t17-/m0/s1
InChIKeyWQSVDOIICGWMKB-KRWDZBQOSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
Tert-butyl-[[6-(1-ethoxyethenyl)cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475886
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
Tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
CID 135070895
tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 139263530
(S,e)-t-butyl(dimethyl)[(13-methylheptadec-10-en-1-yl)oxy]silane
CID 146679946
t-Butyl-dimethyl-[2-(4-methyl-cyclohex-3-enyl)-propoxy]-silane
CID 584625
tert-butyl-dimethyl-[(E,2R,4S,8R)-2,4,6,8-tetramethyldec-6-enoxy]silane
CID 46187222
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane
CID 101186809
4-Methoxy-2-methyl-3-trimethylsilylmethyl-1-undecene
CID 101635033

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane (CID 101047588) is 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane is CCCC[C@@H](COCC[Si](C)(C)C)C1=CCCCC1.
What is the InChIKey of 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane?
The InChIKey is WQSVDOIICGWMKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34OSi/c1-5-6-10-17(16-11-8-7-9-12-16)15-18-13-14-19(2,3)4/h11,17H,5-10,12-15H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane?
2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane has a molecular weight of 282.54 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(cyclohexen-1-yl)hexoxy]ethyl-trimethylsilane is sourced from PubChem (CID 101047588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).