[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane

C27H54O2SiSn — CID 164687056

IUPAC[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)CC1CC2(COC(C)(C)OC2)C/C1=C/[Si](C)(C)C
InChIInChI=1S/C15H27O2Si.3C4H9.Sn/c1-12-7-15(8-13(12)9-18(4,5)6)10-16-14(2,3)17-11-15;3*1-3-4-2;/h9,12H,1,7-8,10-11H2,2-6H3;3*1,3-4H2,2H3;/b13-9-;;;;
InChIKeyMTTIGBAXICJYNN-FEGRSWJESA-N
MW557.52 g/mol
LogP8.82
Rot. Bonds12

About [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane

[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane (PubChem CID 164687056) has the molecular formula C27H54O2SiSn and a molecular weight of 557.52 g/mol. Its IUPAC name is [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
PubChem CID164687056
Molecular FormulaC27H54O2SiSn
Molecular Weight557.52 g/mol
Exact Mass558.29
IUPAC Name[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)CC1CC2(COC(C)(C)OC2)C/C1=C/[Si](C)(C)C
InChIInChI=1S/C15H27O2Si.3C4H9.Sn/c1-12-7-15(8-13(12)9-18(4,5)6)10-16-14(2,3)17-11-15;3*1-3-4-2;/h9,12H,1,7-8,10-11H2,2-6H3;3*1,3-4H2,2H3;/b13-9-;;;;
InChIKeyMTTIGBAXICJYNN-FEGRSWJESA-N
XLogP8.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.52
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8,8-Trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane
CID 11816428
tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane
CID 10648511
[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 11381295
[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-trimethylsilane
CID 10355588
triethyl-[(1Z)-1-(2,8,8-trimethyl-7,9-dioxaspiro[4.5]decan-3-ylidene)ethyl]silane
CID 11771704
[(E)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]-triethylsilane
CID 101130873
Tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane
CID 177398378

Frequently Asked Questions

What is the IUPAC name of [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane (CID 164687056) is [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane is CCCC[Sn](CCCC)(CCCC)CC1CC2(COC(C)(C)OC2)C/C1=C/[Si](C)(C)C.
What is the InChIKey of [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane?
The InChIKey is MTTIGBAXICJYNN-FEGRSWJESA-N. The full InChI is InChI=1S/C15H27O2Si.3C4H9.Sn/c1-12-7-15(8-13(12)9-18(4,5)6)10-16-14(2,3)17-11-15;3*1-3-4-2;/h9,12H,1,7-8,10-11H2,2-6H3;3*1,3-4H2,2H3;/b13-9-;;;;.
What are the key properties of [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane?
[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane has a molecular weight of 557.52 g/mol, XLogP of 8.82, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 164687056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).