[(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane

C25H52OSiSn — CID 13387952

IUPAC[(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane
SMILESCCCC[Sn](/C=C/CC(C)(CCC1CC1)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-6-10-13(2,14-15(3,4)5)11-9-12-7-8-12;3*1-3-4-2;/h1,6,12H,7-11H2,2-5H3;3*1,3-4H2,2H3;
InChIKeyBTOHNZKLRPKQSY-UHFFFAOYSA-N
MW515.49 g/mol
LogP9.12
Rot. Bonds17

About [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane

[(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane (PubChem CID 13387952) has the molecular formula C25H52OSiSn and a molecular weight of 515.49 g/mol. Its IUPAC name is [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane
PubChem CID13387952
Molecular FormulaC25H52OSiSn
Molecular Weight515.49 g/mol
Exact Mass516.28
IUPAC Name[(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane
SMILESCCCC[Sn](/C=C/CC(C)(CCC1CC1)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C13H25OSi.3C4H9.Sn/c1-6-10-13(2,14-15(3,4)5)11-9-12-7-8-12;3*1-3-4-2;/h1,6,12H,7-11H2,2-5H3;3*1,3-4H2,2H3;
InChIKeyBTOHNZKLRPKQSY-UHFFFAOYSA-N
XLogP9.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 170852898
CID 170852898
Trimethyl-(1-methyl-2-pent-4-enylcyclopropyl)oxysilane
CID 86222335
[(6Z)-1-bicyclo[6.1.0]non-6-enyl]oxy-trimethylsilane
CID 102514251
triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
CID 11146006
trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane
CID 12786225
4-Cyclopropyl-4-trimethylsiloxy-1-(tri-n-butylstannyl)-trans-1-octene
CID 12800305
Tributyl((1E)-4-methyl-4-((trimethylsilyl)oxy)-1-octen-1-yl)stannane
CID 12893763
trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
CID 12893764
[(E)-4-ethenyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
CID 12940438
(E)-4-methyl-4-trimethylsilyloxy-1-tri-n-butylstannyl-1-nonene
CID 20442051
(E)-4-methyl-4-trimethylsilyloxy-1-tri-n-butylstannyl-1-decene
CID 20442068
Trimethyl{[4-methyl-1-(tributylstannyl)oct-1-en-4-yl]oxy}silane
CID 53426864

Frequently Asked Questions

What is the IUPAC name of [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane (CID 13387952) is [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane is CCCC[Sn](/C=C/CC(C)(CCC1CC1)O[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane?
The InChIKey is BTOHNZKLRPKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25OSi.3C4H9.Sn/c1-6-10-13(2,14-15(3,4)5)11-9-12-7-8-12;3*1-3-4-2;/h1,6,12H,7-11H2,2-5H3;3*1,3-4H2,2H3;.
What are the key properties of [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane?
[(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane has a molecular weight of 515.49 g/mol, XLogP of 9.12, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyclopropyl-3-methyl-6-tributylstannylhex-5-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 13387952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).