tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane

C24H44O2Sn — CID 10648511

IUPACtributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane
SMILESC=C1CC2(COC(C)(C)OC2)C/C1=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H17O2.3C4H9.Sn/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12;3*1-3-4-2;/h1H,2,5-8H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyPLBFJFSPDCXHRQ-UHFFFAOYSA-N
MW483.33 g/mol
LogP7.42
Rot. Bonds10

About tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane

tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane (PubChem CID 10648511) has the molecular formula C24H44O2Sn and a molecular weight of 483.33 g/mol. Its IUPAC name is tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane
PubChem CID10648511
Molecular FormulaC24H44O2Sn
Molecular Weight483.33 g/mol
Exact Mass484.24
IUPAC Nametributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane
SMILESC=C1CC2(COC(C)(C)OC2)C/C1=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H17O2.3C4H9.Sn/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12;3*1-3-4-2;/h1H,2,5-8H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyPLBFJFSPDCXHRQ-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.33
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane with MolForge

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Related Compounds

2,8,8-Trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane
CID 11816428
[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
CID 164687056
[(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
[(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 tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane?
The IUPAC name of tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane (CID 10648511) is tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane.
What is the SMILES notation for tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane?
The canonical SMILES for tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane is C=C1CC2(COC(C)(C)OC2)C/C1=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane?
The InChIKey is PLBFJFSPDCXHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2.3C4H9.Sn/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12;3*1-3-4-2;/h1H,2,5-8H2,3-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane?
tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane has a molecular weight of 483.33 g/mol, XLogP of 7.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-(8,8-dimethyl-2-methylidene-7,9-dioxaspiro[4.5]decan-3-ylidene)methyl]stannane is sourced from PubChem (CID 10648511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).