tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane

C35H72O4SiSn — CID 10930529

IUPACtert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane
SMILESC=C1CC[C@H](OC(C)(C)C)[C@@](C)(C[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45O4Si.3C4H9.Sn/c1-18-12-13-20(27-21(2,3)4)23(8,14-15-25-17-24-9)19(18)16-26-28(10,11)22(5,6)7;3*1-3-4-2;/h15,19-20H,1,12-14,16-17H2,2-11H3;3*1,3-4H2,2H3;/t19-,20-,23-;;;;/m0..../s1
InChIKeyTYJXBBBBGJLBON-HEDIHIAKSA-N
MW703.75 g/mol
LogP10.93
Rot. Bonds19

About tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane

tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane (PubChem CID 10930529) has the molecular formula C35H72O4SiSn and a molecular weight of 703.75 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane
PubChem CID10930529
Molecular FormulaC35H72O4SiSn
Molecular Weight703.75 g/mol
Exact Mass704.42
IUPAC Nametert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane
SMILESC=C1CC[C@H](OC(C)(C)C)[C@@](C)(C[C@H](OCOC)[Sn](CCCC)(CCCC)CCCC)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45O4Si.3C4H9.Sn/c1-18-12-13-20(27-21(2,3)4)23(8,14-15-25-17-24-9)19(18)16-26-28(10,11)22(5,6)7;3*1-3-4-2;/h15,19-20H,1,12-14,16-17H2,2-11H3;3*1,3-4H2,2H3;/t19-,20-,23-;;;;/m0..../s1
InChIKeyTYJXBBBBGJLBON-HEDIHIAKSA-N
XLogP10.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.75
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[(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-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
CID 11227445
tert-butyl-[[(1S,2S)-2-[(2S)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidenecyclohexyl]methoxy]-dimethylsilane
CID 11467796
tert-butyl-[[(1R,2S,3S)-2-[(2S)-2-(methoxymethoxy)-2-tributylstannylethyl]-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane
CID 177568065

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane?
The IUPAC name of 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) is tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane is C=C1CC[C@H](OC(C)(C)C)[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,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane?
The InChIKey is TYJXBBBBGJLBON-HEDIHIAKSA-N. The full InChI is InChI=1S/C23H45O4Si.3C4H9.Sn/c1-18-12-13-20(27-21(2,3)4)23(8,14-15-25-17-24-9)19(18)16-26-28(10,11)22(5,6)7;3*1-3-4-2;/h15,19-20H,1,12-14,16-17H2,2-11H3;3*1,3-4H2,2H3;/t19-,20-,23-;;;;/m0..../s1.
What are the key properties of tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane?
tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane has a molecular weight of 703.75 g/mol, XLogP of 10.93, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,3S)-2-[(2R)-2-(methoxymethoxy)-2-tributylstannylethyl]-2-methyl-6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxy]-dimethylsilane is sourced from PubChem (CID 10930529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).