tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane

C19H40OSiSn — CID 177470456

IUPACtert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane
SMILESCC1=C(C[Sn](C)(C)C)C(C)(C)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31OSi.3CH3.Sn/c1-12-10-11-14(16(6,7)13(12)2)17-18(8,9)15(3,4)5;;;;/h14H,2,10-11H2,1,3-9H3;3*1H3;
InChIKeyWASOCQOMDLZJKL-UHFFFAOYSA-N
MW431.33 g/mol
LogP6.85
Rot. Bonds4

About tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane (PubChem CID 177470456) has the molecular formula C19H40OSiSn and a molecular weight of 431.33 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane
PubChem CID177470456
Molecular FormulaC19H40OSiSn
Molecular Weight431.33 g/mol
Exact Mass432.19
IUPAC Nametert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane
SMILESCC1=C(C[Sn](C)(C)C)C(C)(C)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31OSi.3CH3.Sn/c1-12-10-11-14(16(6,7)13(12)2)17-18(8,9)15(3,4)5;;;;/h14H,2,10-11H2,1,3-9H3;3*1H3;
InChIKeyWASOCQOMDLZJKL-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.33
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
(4-Ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane
CID 19751863
[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
CID 54022486
(1S)-1-tert-butyldimethylsilyloxy-3,4,5,5-tetramethyl-3-cyclohexene
CID 57276695
[(1S)-1-tert-butyl-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 173293934
(2S)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
CID 10496113
(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
CID 10543874
tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 10660274
tert-butyl-dimethyl-[(1R)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxysilane
CID 10683366
Triethyl-[[3-methyl-1-(4-methylpent-4-enyl)cyclohex-2-en-1-yl]methoxy]silane
CID 10687330
4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-one
CID 10734502
Tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane
CID 12007116

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane (CID 177470456) is tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane is CC1=C(C[Sn](C)(C)C)C(C)(C)C(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane?
The InChIKey is WASOCQOMDLZJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31OSi.3CH3.Sn/c1-12-10-11-14(16(6,7)13(12)2)17-18(8,9)15(3,4)5;;;;/h14H,2,10-11H2,1,3-9H3;3*1H3;.
What are the key properties of tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane has a molecular weight of 431.33 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 177470456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).