tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane

C14H27IOSi — CID 11111320

IUPACtert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=C(C)CCC(/C=C\I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27IOSi/c1-12(2)8-9-13(10-11-15)16-17(6,7)14(3,4)5/h10-11,13H,1,8-9H2,2-7H3/b11-10-
InChIKeySMWUJBNSTZESKY-KHPPLWFESA-N
MW366.36 g/mol
LogP5.68
Rot. Bonds6

About tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane (PubChem CID 11111320) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane
PubChem CID11111320
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Nametert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=C(C)CCC(/C=C\I)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27IOSi/c1-12(2)8-9-13(10-11-15)16-17(6,7)14(3,4)5/h10-11,13H,1,8-9H2,2-7H3/b11-10-
InChIKeySMWUJBNSTZESKY-KHPPLWFESA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.68
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

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CID 9986037
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tert-butyl-[(3Z)-3-(iodomethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
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2,4-Dimethylpenta-1,4-dien-3-yloxy-dimethyl-prop-2-enylsilane
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3-t-Butyldimethylsiloxy-1-iodo-trans-1-octene
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(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
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tert-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664
(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-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane (CID 11111320) is tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane is C=C(C)CCC(/C=C\I)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The InChIKey is SMWUJBNSTZESKY-KHPPLWFESA-N. The full InChI is InChI=1S/C14H27IOSi/c1-12(2)8-9-13(10-11-15)16-17(6,7)14(3,4)5/h10-11,13H,1,8-9H2,2-7H3/b11-10-.
What are the key properties of tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11111320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).