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

C24H46O2Sn — CID 177398378

IUPACtributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane
SMILESC=C1CC2(COC(C)(C)OC2)CC1C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H19O2.3C4H9.Sn/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12;3*1-3-4-2;/h9H,1-2,5-8H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyPAPCSNJKTSHJLX-UHFFFAOYSA-N
MW485.34 g/mol
LogP7.57
Rot. Bonds11

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

tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane (PubChem CID 177398378) has the molecular formula C24H46O2Sn and a molecular weight of 485.34 g/mol. Its IUPAC name is tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane.

Molecular Properties

Compound Nametributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane
PubChem CID177398378
Molecular FormulaC24H46O2Sn
Molecular Weight485.34 g/mol
Exact Mass486.25
IUPAC Nametributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane
SMILESC=C1CC2(COC(C)(C)OC2)CC1C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H19O2.3C4H9.Sn/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12;3*1-3-4-2;/h9H,1-2,5-8H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyPAPCSNJKTSHJLX-UHFFFAOYSA-N
XLogP7.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.34
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
(3E)-3-(iodomethylidene)-8,8-dimethyl-2-prop-1-en-2-yl-7,9-dioxaspiro[4.5]decane
CID 135041213
[(Z)-[8,8-dimethyl-2-(tributylstannylmethyl)-7,9-dioxaspiro[4.5]decan-3-ylidene]methyl]-trimethylsilane
CID 164687056
3-Ethylidene-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
CID 177567952

Frequently Asked Questions

What is the IUPAC name of tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane?
The IUPAC name of tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane (CID 177398378) is tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane.
What is the SMILES notation for tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane?
The canonical SMILES for tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane is C=C1CC2(COC(C)(C)OC2)CC1C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane?
The InChIKey is PAPCSNJKTSHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O2.3C4H9.Sn/c1-9-5-12(6-10(9)2)7-13-11(3,4)14-8-12;3*1-3-4-2;/h9H,1-2,5-8H2,3-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane?
tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane has a molecular weight of 485.34 g/mol, XLogP of 7.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(8,8-dimethyl-3-methylidene-7,9-dioxaspiro[4.5]decan-2-yl)methyl]stannane is sourced from PubChem (CID 177398378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).