tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane

C31H64O3SiSn — CID 11227445

IUPACtert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
SMILESC=C1CCC[C@@](C)(C[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37O3Si.3C4H9.Sn/c1-16-10-9-11-19(5,12-13-21-15-20-6)17(16)14-22-23(7,8)18(2,3)4;3*1-3-4-2;/h13,17H,1,9-12,14-15H2,2-8H3;3*1,3-4H2,2H3;/t17-,19-;;;;/m0..../s1
InChIKeyUHOIAEARNXVTAE-LHQOOKHHSA-N
MW631.65 g/mol
LogP10.14
Rot. Bonds18

About tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane (PubChem CID 11227445) has the molecular formula C31H64O3SiSn and a molecular weight of 631.65 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
PubChem CID11227445
Molecular FormulaC31H64O3SiSn
Molecular Weight631.65 g/mol
Exact Mass632.36
IUPAC Nametert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
SMILESC=C1CCC[C@@](C)(C[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H37O3Si.3C4H9.Sn/c1-16-10-9-11-19(5,12-13-21-15-20-6)17(16)14-22-23(7,8)18(2,3)4;3*1-3-4-2;/h13,17H,1,9-12,14-15H2,2-8H3;3*1,3-4H2,2H3;/t17-,19-;;;;/m0..../s1
InChIKeyUHOIAEARNXVTAE-LHQOOKHHSA-N
XLogP10.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.65
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-[1-[1-[tert-butyl(dimethyl)silyl]ethenoxy]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butoxy]-dimethylsilane
CID 13353557
tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane
CID 10930529
tert-butyl-[[(1S,2S,3S)-2-[(2S)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane
CID 11028902
tert-butyl-[[(1S,2S)-2-[(2S)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
CID 11467796

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane (CID 11227445) is tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane is C=C1CCC[C@@](C)(C[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane?
The InChIKey is UHOIAEARNXVTAE-LHQOOKHHSA-N. The full InChI is InChI=1S/C19H37O3Si.3C4H9.Sn/c1-16-10-9-11-19(5,12-13-21-15-20-6)17(16)14-22-23(7,8)18(2,3)4;3*1-3-4-2;/h13,17H,1,9-12,14-15H2,2-8H3;3*1,3-4H2,2H3;/t17-,19-;;;;/m0..../s1.
What are the key properties of tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane has a molecular weight of 631.65 g/mol, XLogP of 10.14, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane is sourced from PubChem (CID 11227445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).