trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane

C25H54OSiSn — CID 11145728

IUPACtrimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane
SMILESC=C([C@H](C)O[C@@H](CCCCC)[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C13H27OSi.3C4H9.Sn/c1-7-8-9-10-11-14-12(2)13(3)15(4,5)6;3*1-3-4-2;/h11-12H,3,7-10H2,1-2,4-6H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1
InChIKeyUUZBGYXTJJEAOJ-KCOFNFEMSA-N
MW517.50 g/mol
LogP9.16
Rot. Bonds18

About trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane

trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane (PubChem CID 11145728) has the molecular formula C25H54OSiSn and a molecular weight of 517.50 g/mol. Its IUPAC name is trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane
PubChem CID11145728
Molecular FormulaC25H54OSiSn
Molecular Weight517.50 g/mol
Exact Mass518.30
IUPAC Nametrimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane
SMILESC=C([C@H](C)O[C@@H](CCCCC)[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C13H27OSi.3C4H9.Sn/c1-7-8-9-10-11-14-12(2)13(3)15(4,5)6;3*1-3-4-2;/h11-12H,3,7-10H2,1-2,4-6H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1
InChIKeyUUZBGYXTJJEAOJ-KCOFNFEMSA-N
XLogP9.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.50
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexyloxyhexa-1,5-dienyl-dimethyl-propan-2-ylsilane
CID 70292486
Trimethyl-[3-(tributylstannylmethoxy)but-1-en-2-yl]silane
CID 177508974

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane?
The IUPAC name of trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane (CID 11145728) is trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane?
The canonical SMILES for trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane is C=C([C@H](C)O[C@@H](CCCCC)[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane?
The InChIKey is UUZBGYXTJJEAOJ-KCOFNFEMSA-N. The full InChI is InChI=1S/C13H27OSi.3C4H9.Sn/c1-7-8-9-10-11-14-12(2)13(3)15(4,5)6;3*1-3-4-2;/h11-12H,3,7-10H2,1-2,4-6H3;3*1,3-4H2,2H3;/t12-;;;;/m0..../s1.
What are the key properties of trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane?
trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane has a molecular weight of 517.50 g/mol, XLogP of 9.16, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3S)-3-[(1R)-1-tributylstannylhexoxy]but-1-en-2-yl]silane is sourced from PubChem (CID 11145728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).