trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane

C26H56O2SiSn — CID 16724002

IUPACtrimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane
SMILESCCCCC[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H29O2Si.3C4H9.Sn/c1-6-8-9-10-14(7-2)16-13-15-11-12-17(3,4)5;3*1-3-4-2;/h2,7,14H,6,8-13H2,1,3-5H3;3*1,3-4H2,2H3;/t14-;;;;/m1..../s1
InChIKeyJNGFKVQYYPDXCL-WGVOJFRMSA-N
MW547.53 g/mol
LogP9.21
Rot. Bonds21

About trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane

trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane (PubChem CID 16724002) has the molecular formula C26H56O2SiSn and a molecular weight of 547.53 g/mol. Its IUPAC name is trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane
PubChem CID16724002
Molecular FormulaC26H56O2SiSn
Molecular Weight547.53 g/mol
Exact Mass548.31
IUPAC Nametrimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane
SMILESCCCCC[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H29O2Si.3C4H9.Sn/c1-6-8-9-10-14(7-2)16-13-15-11-12-17(3,4)5;3*1-3-4-2;/h2,7,14H,6,8-13H2,1,3-5H3;3*1,3-4H2,2H3;/t14-;;;;/m1..../s1
InChIKeyJNGFKVQYYPDXCL-WGVOJFRMSA-N
XLogP9.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.53
LogP ≤ 59.21
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane (CID 16724002) is trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane is CCCCC[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)OCOCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane?
The InChIKey is JNGFKVQYYPDXCL-WGVOJFRMSA-N. The full InChI is InChI=1S/C14H29O2Si.3C4H9.Sn/c1-6-8-9-10-14(7-2)16-13-15-11-12-17(3,4)5;3*1-3-4-2;/h2,7,14H,6,8-13H2,1,3-5H3;3*1,3-4H2,2H3;/t14-;;;;/m1..../s1.
What are the key properties of trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane?
trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane has a molecular weight of 547.53 g/mol, XLogP of 9.21, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(E,3S)-1-tributylstannyloct-1-en-3-yl]oxymethoxy]ethyl]silane is sourced from PubChem (CID 16724002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).