[(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane

C30H62O3SiSn — CID 10508075

IUPAC[(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(CCCC1COC(C)(C)O1)OCCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C18H35O3Si.3C4H9.Sn/c1-18(2)20-16-17(21-18)12-8-10-14-19-13-9-6-7-11-15-22(3,4)5;3*1-3-4-2;/h7,11,14,17H,6,8-10,12-13,15-16H2,1-5H3;3*1,3-4H2,2H3;/b11-7-;;;;
InChIKeyRBPFQBIOYJJVBW-YIUUKBIWSA-N
MW617.62 g/mol
LogP9.76
Rot. Bonds21

About [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane

[(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane (PubChem CID 10508075) has the molecular formula C30H62O3SiSn and a molecular weight of 617.62 g/mol. Its IUPAC name is [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane
PubChem CID10508075
Molecular FormulaC30H62O3SiSn
Molecular Weight617.62 g/mol
Exact Mass618.35
IUPAC Name[(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(CCCC1COC(C)(C)O1)OCCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C18H35O3Si.3C4H9.Sn/c1-18(2)20-16-17(21-18)12-8-10-14-19-13-9-6-7-11-15-22(3,4)5;3*1-3-4-2;/h7,11,14,17H,6,8-10,12-13,15-16H2,1-5H3;3*1,3-4H2,2H3;/b11-7-;;;;
InChIKeyRBPFQBIOYJJVBW-YIUUKBIWSA-N
XLogP9.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.62
LogP ≤ 59.76
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)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane?
The IUPAC name of [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane (CID 10508075) is [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane is CCCC[Sn](CCCC)(CCCC)C(CCCC1COC(C)(C)O1)OCCC/C=C\C[Si](C)(C)C.
What is the InChIKey of [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane?
The InChIKey is RBPFQBIOYJJVBW-YIUUKBIWSA-N. The full InChI is InChI=1S/C18H35O3Si.3C4H9.Sn/c1-18(2)20-16-17(21-18)12-8-10-14-19-13-9-6-7-11-15-22(3,4)5;3*1-3-4-2;/h7,11,14,17H,6,8-10,12-13,15-16H2,1-5H3;3*1,3-4H2,2H3;/b11-7-;;;;.
What are the key properties of [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane?
[(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane has a molecular weight of 617.62 g/mol, XLogP of 9.76, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-tributylstannylbutoxy]hex-2-enyl]-trimethylsilane is sourced from PubChem (CID 10508075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).