[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane

C20H42OSi2 — CID 134939335

IUPAC[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCCCC[C@H]1CC[C@H]([Si](CC)(CC)CC)C(O[Si](C)(C)C)=C1C
InChIInChI=1S/C20H42OSi2/c1-9-13-14-18-15-16-19(23(10-2,11-3)12-4)20(17(18)5)21-22(6,7)8/h18-19H,9-16H2,1-8H3/t18-,19-/m0/s1
InChIKeyGJNBNSUCLONBMG-OALUTQOASA-N
MW354.73 g/mol
LogP7.59
Rot. Bonds9

About [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane

[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 134939335) has the molecular formula C20H42OSi2 and a molecular weight of 354.73 g/mol. Its IUPAC name is [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID134939335
Molecular FormulaC20H42OSi2
Molecular Weight354.73 g/mol
Exact Mass354.28
IUPAC Name[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane
SMILESCCCC[C@H]1CC[C@H]([Si](CC)(CC)CC)C(O[Si](C)(C)C)=C1C
InChIInChI=1S/C20H42OSi2/c1-9-13-14-18-15-16-19(23(10-2,11-3)12-4)20(17(18)5)21-22(6,7)8/h18-19H,9-16H2,1-8H3/t18-,19-/m0/s1
InChIKeyGJNBNSUCLONBMG-OALUTQOASA-N
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.73
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[3-(3-methylbut-3-enyl)cyclohexen-1-yl]oxysilane
CID 10490148
Trimethyl-[3-(4-methylpent-3-enyl)cyclohexen-1-yl]oxysilane
CID 10658496
Silane, [(2-methyl-1-cyclohexen-1-yl)oxy]tris(1-methylethyl)-
CID 11076456
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
Trimethyl-[3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635032
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035
[(3R,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922420
[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922499
triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane
CID 134956682
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
Cyclohexene, 5-isopropenyl-2,3-dimethyl-1-(trimethylsilyloxy)-
CID 553373
(3-But-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane
CID 10706895

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane (CID 134939335) is [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane is CCCC[C@H]1CC[C@H]([Si](CC)(CC)CC)C(O[Si](C)(C)C)=C1C.
What is the InChIKey of [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is GJNBNSUCLONBMG-OALUTQOASA-N. The full InChI is InChI=1S/C20H42OSi2/c1-9-13-14-18-15-16-19(23(10-2,11-3)12-4)20(17(18)5)21-22(6,7)8/h18-19H,9-16H2,1-8H3/t18-,19-/m0/s1.
What are the key properties of [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane?
[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 354.73 g/mol, XLogP of 7.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 134939335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).