tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane

C27H54OSiSn — CID 11663878

IUPACtert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane
SMILESCC#CC[C@H](C)[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27OSi.3C4H9.Sn/c1-9-11-12-13(3)14(10-2)16-17(7,8)15(4,5)6;3*1-3-4-2;/h2,10,13-14H,12H2,1,3-8H3;3*1,3-4H2,2H3;/t13-,14+;;;;/m0..../s1
InChIKeyGBCWKXQKBRUICS-CIGCOMLQSA-N
MW541.53 g/mol
LogP9.37
Rot. Bonds15

About tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane (PubChem CID 11663878) has the molecular formula C27H54OSiSn and a molecular weight of 541.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane
PubChem CID11663878
Molecular FormulaC27H54OSiSn
Molecular Weight541.53 g/mol
Exact Mass542.30
IUPAC Nametert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane
SMILESCC#CC[C@H](C)[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H27OSi.3C4H9.Sn/c1-9-11-12-13(3)14(10-2)16-17(7,8)15(4,5)6;3*1-3-4-2;/h2,10,13-14H,12H2,1,3-8H3;3*1,3-4H2,2H3;/t13-,14+;;;;/m0..../s1
InChIKeyGBCWKXQKBRUICS-CIGCOMLQSA-N
XLogP9.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane (CID 11663878) is tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane is CC#CC[C@H](C)[C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane?
The InChIKey is GBCWKXQKBRUICS-CIGCOMLQSA-N. The full InChI is InChI=1S/C15H27OSi.3C4H9.Sn/c1-9-11-12-13(3)14(10-2)16-17(7,8)15(4,5)6;3*1-3-4-2;/h2,10,13-14H,12H2,1,3-8H3;3*1,3-4H2,2H3;/t13-,14+;;;;/m0..../s1.
What are the key properties of tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane has a molecular weight of 541.53 g/mol, XLogP of 9.37, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,3S,4S)-4-methyl-1-tributylstannyloct-1-en-6-yn-3-yl]oxysilane is sourced from PubChem (CID 11663878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).