tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane

C13H27IOSi — CID 10498305

IUPACtert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CCCI
InChIInChI=1S/C13H27IOSi/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h9H,7-8,10-11H2,1-6H3/b12-9+
InChIKeyYAKUICSGWCSJGA-FMIVXFBMSA-N
MW354.35 g/mol
LogP5.17
Rot. Bonds6

About tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane

tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane (PubChem CID 10498305) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane
PubChem CID10498305
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CCCI
InChIInChI=1S/C13H27IOSi/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h9H,7-8,10-11H2,1-6H3/b12-9+
InChIKeyYAKUICSGWCSJGA-FMIVXFBMSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
CID 134983258
Ctk0J4668
CID 11106001
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 135063549
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane (CID 10498305) is tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane is C/C(=C\CO[Si](C)(C)C(C)(C)C)CCCI.
What is the InChIKey of tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane?
The InChIKey is YAKUICSGWCSJGA-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-12(8-7-10-14)9-11-15-16(5,6)13(2,3)4/h9H,7-8,10-11H2,1-6H3/b12-9+.
What are the key properties of tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-iodo-3-methylhex-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10498305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).