tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane

C15H29IOSi — CID 72737464

IUPACtert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane
SMILESC=CC(CCC/C(C)=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IOSi/c1-8-14(11-9-10-13(2)12-16)17-18(6,7)15(3,4)5/h8,12,14H,1,9-11H2,2-7H3/b13-12+
InChIKeyAFONGDFJTCASRS-OUKQBFOZSA-N
MW380.39 g/mol
LogP6.07
Rot. Bonds7

About tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane (PubChem CID 72737464) has the molecular formula C15H29IOSi and a molecular weight of 380.39 g/mol. Its IUPAC name is tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane
PubChem CID72737464
Molecular FormulaC15H29IOSi
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Nametert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane
SMILESC=CC(CCC/C(C)=C/I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IOSi/c1-8-14(11-9-10-13(2)12-16)17-18(6,7)15(3,4)5/h8,12,14H,1,9-11H2,2-7H3/b13-12+
InChIKeyAFONGDFJTCASRS-OUKQBFOZSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1,1-dimethylethyl)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
Silane, [(1-ethenylhexyl)oxy]trimethyl-
CID 10878189
tert-butyl-[(3Z)-3-(iodomethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 11068496
3-t-Butyldimethylsiloxy-1-iodo-trans-1-octene
CID 10948597
(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
CID 11111369
1-Lithio-3-(t-butyldimethylsilyloxy)-trans-octene
CID 11128673
(E)-tert-Butyl((7-iodohept-6-en-1-yl)oxy)dimethylsilane
CID 60147005
tert-butyl-dimethyl-[(E)-8,8,8-trifluoro-1-iodooct-1-en-3-yl]oxysilane
CID 22768576
Tert-butyl-dimethyl-(8,8,8-trifluoro-1-iodooct-1-en-3-yl)oxysilane
CID 53973252
tert-butyl-[(E,3R)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 87758246
tert-butyl-[(E,3S)-4,4-difluoro-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 87758707

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane (CID 72737464) is tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane is C=CC(CCC/C(C)=C/I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane?
The InChIKey is AFONGDFJTCASRS-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H29IOSi/c1-8-14(11-9-10-13(2)12-16)17-18(6,7)15(3,4)5/h8,12,14H,1,9-11H2,2-7H3/b13-12+.
What are the key properties of tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane has a molecular weight of 380.39 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 72737464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).