2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane

C31H66O4SiSn — CID 177477442

IUPAC2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCCCC[C@@H](CCC[C@H](/C=C/OCOC)[Sn](CCCC)(CCCC)CCCC)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H39O4Si.3C4H9.Sn/c1-6-7-12-19(23-18-22-15-16-24(3,4)5)13-10-8-9-11-14-21-17-20-2;3*1-3-4-2;/h9,11,14,19H,6-8,10,12-13,15-18H2,1-5H3;3*1,3-4H2,2H3;/b14-11+;;;;/t19-;;;;/m0..../s1
InChIKeyQBRWAPFYXGKRPP-ZJRHICKPSA-N
MW649.66 g/mol
LogP10.40
Rot. Bonds27

About 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 177477442) has the molecular formula C31H66O4SiSn and a molecular weight of 649.66 g/mol. Its IUPAC name is 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID177477442
Molecular FormulaC31H66O4SiSn
Molecular Weight649.66 g/mol
Exact Mass650.38
IUPAC Name2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCCCC[C@@H](CCC[C@H](/C=C/OCOC)[Sn](CCCC)(CCCC)CCCC)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H39O4Si.3C4H9.Sn/c1-6-7-12-19(23-18-22-15-16-24(3,4)5)13-10-8-9-11-14-21-17-20-2;3*1-3-4-2;/h9,11,14,19H,6-8,10,12-13,15-18H2,1-5H3;3*1,3-4H2,2H3;/b14-11+;;;;/t19-;;;;/m0..../s1
InChIKeyQBRWAPFYXGKRPP-ZJRHICKPSA-N
XLogP10.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.66
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane
CID 14902376
tributyl-[4-(methoxymethoxy)but-3-en-2-yl]stannane
CID 71341507
(2S)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propan-1-ol
CID 11059329
tributyl-[(Z,4R)-oct-2-en-4-yl]stannane
CID 177449135
2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-7-iodohept-6-enoxy]methoxy]ethyl-trimethylsilane
CID 10581746
tert-butyl-dimethyl-[(Z,3R)-3-tributylstannylundec-1-enoxy]silane
CID 11801236
(6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(1R,7S)-1,7-bis(2-trimethylsilylethoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hexan-1-ol
CID 10605526
(E)-1-(methoxymethoxy)oct-1-en-3-ol
CID 11745383
5-(methoxymethoxy)-1-tributylstannylpentan-1-ol
CID 10863048
tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
CID 12839862
trimethyl-[2-(propan-2-yloxymethoxy)ethyl]silane
CID 140699202
2-[[(E,1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-7-iodohept-6-enoxy]methoxy]ethyl-trimethylsilane
CID 10819708

Frequently Asked Questions

What is the IUPAC name of 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane (CID 177477442) is 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane is CCCC[C@@H](CCC[C@H](/C=C/OCOC)[Sn](CCCC)(CCCC)CCCC)OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is QBRWAPFYXGKRPP-ZJRHICKPSA-N. The full InChI is InChI=1S/C19H39O4Si.3C4H9.Sn/c1-6-7-12-19(23-18-22-15-16-24(3,4)5)13-10-8-9-11-14-21-17-20-2;3*1-3-4-2;/h9,11,14,19H,6-8,10,12-13,15-18H2,1-5H3;3*1,3-4H2,2H3;/b14-11+;;;;/t19-;;;;/m0..../s1.
What are the key properties of 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 649.66 g/mol, XLogP of 10.40, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,5S,9R)-11-(methoxymethoxy)-9-tributylstannylundec-10-en-5-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 177477442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).