trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane

C25H54O2SiSn — CID 10007269

IUPACtrimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane
SMILESC=C(C[Sn](CCCC)(CCCC)CCCC)C(OCOCC[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H27O2Si.3C4H9.Sn/c1-11(2)13(12(3)4)15-10-14-8-9-16(5,6)7;3*1-3-4-2;/h12-13H,1-2,8-10H2,3-7H3;3*1,3-4H2,2H3;
InChIKeyPZKALRFFQPVCPA-UHFFFAOYSA-N
MW533.50 g/mol
LogP8.75
Rot. Bonds19

About trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane

trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane (PubChem CID 10007269) has the molecular formula C25H54O2SiSn and a molecular weight of 533.50 g/mol. Its IUPAC name is trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane
PubChem CID10007269
Molecular FormulaC25H54O2SiSn
Molecular Weight533.50 g/mol
Exact Mass534.29
IUPAC Nametrimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane
SMILESC=C(C[Sn](CCCC)(CCCC)CCCC)C(OCOCC[Si](C)(C)C)C(C)C
InChIInChI=1S/C13H27O2Si.3C4H9.Sn/c1-11(2)13(12(3)4)15-10-14-8-9-16(5,6)7;3*1-3-4-2;/h12-13H,1-2,8-10H2,3-7H3;3*1,3-4H2,2H3;
InChIKeyPZKALRFFQPVCPA-UHFFFAOYSA-N
XLogP8.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.50
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane (CID 10007269) is trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane is C=C(C[Sn](CCCC)(CCCC)CCCC)C(OCOCC[Si](C)(C)C)C(C)C.
What is the InChIKey of trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane?
The InChIKey is PZKALRFFQPVCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O2Si.3C4H9.Sn/c1-11(2)13(12(3)4)15-10-14-8-9-16(5,6)7;3*1-3-4-2;/h12-13H,1-2,8-10H2,3-7H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane?
trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane has a molecular weight of 533.50 g/mol, XLogP of 8.75, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-methyl-2-(tributylstannylmethyl)pent-1-en-3-yl]oxymethoxy]ethyl]silane is sourced from PubChem (CID 10007269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).