tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane

C13H25IOSi — CID 91559483

IUPACtert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane
SMILESC=CCCC(C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IOSi/c1-7-8-9-12(10-11-14)15-16(5,6)13(2,3)4/h7,10-12H,1,8-9H2,2-6H3
InChIKeyMJCFPCOSVJBTPI-UHFFFAOYSA-N
MW352.33 g/mol
LogP5.29
Rot. Bonds6

About tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane

tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane (PubChem CID 91559483) has the molecular formula C13H25IOSi and a molecular weight of 352.33 g/mol. Its IUPAC name is tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane
PubChem CID91559483
Molecular FormulaC13H25IOSi
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Nametert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane
SMILESC=CCCC(C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IOSi/c1-7-8-9-12(10-11-14)15-16(5,6)13(2,3)4/h7,10-12H,1,8-9H2,2-6H3
InChIKeyMJCFPCOSVJBTPI-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.33
LogP ≤ 55.29
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

4-(Tert-butyldimethylsiloxy)-1,6-heptadiene
CID 10933202
[(But-3-en-2-yl)oxy](tert-butyl)dimethylsilane
CID 13307471
Silane, (1,1-dimethylethyl)[(1-ethenyl-2-propenyl)oxy]dimethyl-
CID 356107
1,5-Hexadien-3-ol, tert-butyldimethylsilyl ether
CID 15653177
(4e)-1-t-Butyldimethylsilyloxy-5-iodopent-4-ene
CID 11186422
Silane, (1,1-dimethylethyl)(1-ethenylbutoxy)dimethyl-
CID 11206678
Tert-butyl-hex-5-en-3-yloxy-dimethylsilane
CID 15358394
tert-butyl-[(Z)-5-iodopent-4-enoxy]-dimethylsilane
CID 16680062
tert-butyl-[(E)-6-iodohex-5-enoxy]-dimethylsilane
CID 10893166
Hex-1-en-3-yloxy(trimethyl)silane
CID 262863
2,4-Dimethylpenta-1,4-dien-3-yloxy-dimethyl-prop-2-enylsilane
CID 10889176
3-t-Butyldimethylsiloxy-1-iodo-trans-1-octene
CID 10948597

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane (CID 91559483) is tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane is C=CCCC(C=CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane?
The InChIKey is MJCFPCOSVJBTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IOSi/c1-7-8-9-12(10-11-14)15-16(5,6)13(2,3)4/h7,10-12H,1,8-9H2,2-6H3.
What are the key properties of tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane?
tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane has a molecular weight of 352.33 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane is sourced from PubChem (CID 91559483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).