[4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane

C29H60O3SiSn — CID 10769935

IUPAC[4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane
SMILESC=C(CCOC(CCCC1COC(C)(C)O1)[Sn](CCCC)(CCCC)CCCC)C[Si](C)(C)C
InChIInChI=1S/C17H33O3Si.3C4H9.Sn/c1-15(14-21(4,5)6)10-12-18-11-8-7-9-16-13-19-17(2,3)20-16;3*1-3-4-2;/h11,16H,1,7-10,12-14H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyLMBONPHXOLSLML-UHFFFAOYSA-N
MW603.59 g/mol
LogP9.37
Rot. Bonds20

About [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane

[4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane (PubChem CID 10769935) has the molecular formula C29H60O3SiSn and a molecular weight of 603.59 g/mol. Its IUPAC name is [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane
PubChem CID10769935
Molecular FormulaC29H60O3SiSn
Molecular Weight603.59 g/mol
Exact Mass604.33
IUPAC Name[4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane
SMILESC=C(CCOC(CCCC1COC(C)(C)O1)[Sn](CCCC)(CCCC)CCCC)C[Si](C)(C)C
InChIInChI=1S/C17H33O3Si.3C4H9.Sn/c1-15(14-21(4,5)6)10-12-18-11-8-7-9-16-13-19-17(2,3)20-16;3*1-3-4-2;/h11,16H,1,7-10,12-14H2,2-6H3;3*1,3-4H2,2H3;
InChIKeyLMBONPHXOLSLML-UHFFFAOYSA-N
XLogP9.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.59
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 135039842
[(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane
CID 10508075
[(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane
CID 10531694
[(E)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane
CID 177419995
[(E)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane
CID 177523711

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane?
The IUPAC name of [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane (CID 10769935) is [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane.
What is the SMILES notation for [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane?
The canonical SMILES for [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane is C=C(CCOC(CCCC1COC(C)(C)O1)[Sn](CCCC)(CCCC)CCCC)C[Si](C)(C)C.
What is the InChIKey of [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane?
The InChIKey is LMBONPHXOLSLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33O3Si.3C4H9.Sn/c1-15(14-21(4,5)6)10-12-18-11-8-7-9-16-13-19-17(2,3)20-16;3*1-3-4-2;/h11,16H,1,7-10,12-14H2,2-6H3;3*1,3-4H2,2H3;.
What are the key properties of [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane?
[4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane has a molecular weight of 603.59 g/mol, XLogP of 9.37, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]-2-methylidenebutyl]-trimethylsilane is sourced from PubChem (CID 10769935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).