[(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane

C29H60O3SiSn — CID 10531694

IUPAC[(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(CCCC1COC(C)(C)O1)OCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C17H33O3Si.3C4H9.Sn/c1-17(2)19-15-16(20-17)11-7-9-13-18-12-8-6-10-14-21(3,4)5;3*1-3-4-2;/h6,10,13,16H,7-9,11-12,14-15H2,1-5H3;3*1,3-4H2,2H3;/b10-6-;;;;
InChIKeyOVCBIMYLGGUYBD-GBSMHVDXSA-N
MW603.59 g/mol
LogP9.37
Rot. Bonds20

About [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane

[(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane (PubChem CID 10531694) has the molecular formula C29H60O3SiSn and a molecular weight of 603.59 g/mol. Its IUPAC name is [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane
PubChem CID10531694
Molecular FormulaC29H60O3SiSn
Molecular Weight603.59 g/mol
Exact Mass604.33
IUPAC Name[(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(CCCC1COC(C)(C)O1)OCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C17H33O3Si.3C4H9.Sn/c1-17(2)19-15-16(20-17)11-7-9-13-18-12-8-6-10-14-21(3,4)5;3*1-3-4-2;/h6,10,13,16H,7-9,11-12,14-15H2,1-5H3;3*1,3-4H2,2H3;/b10-6-;;;;
InChIKeyOVCBIMYLGGUYBD-GBSMHVDXSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane?
The IUPAC name of [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane (CID 10531694) is [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane is CCCC[Sn](CCCC)(CCCC)C(CCCC1COC(C)(C)O1)OCC/C=C\C[Si](C)(C)C.
What is the InChIKey of [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane?
The InChIKey is OVCBIMYLGGUYBD-GBSMHVDXSA-N. The full InChI is InChI=1S/C17H33O3Si.3C4H9.Sn/c1-17(2)19-15-16(20-17)11-7-9-13-18-12-8-6-10-14-21(3,4)5;3*1-3-4-2;/h6,10,13,16H,7-9,11-12,14-15H2,1-5H3;3*1,3-4H2,2H3;/b10-6-;;;;.
What are the key properties of [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane?
[(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-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 [(Z)-5-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]pent-2-enyl]-trimethylsilane is sourced from PubChem (CID 10531694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).