tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane

C12H25IOSi — CID 173222661

IUPACtert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
SMILESCCC(C)(C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IOSi/c1-8-12(5,9-10-13)14-15(6,7)11(2,3)4/h9-10H,8H2,1-7H3
InChIKeySQTNVDSEAULJRG-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.13
Rot. Bonds4

About tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane

tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane (PubChem CID 173222661) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
PubChem CID173222661
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Nametert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
SMILESCCC(C)(C=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IOSi/c1-8-12(5,9-10-13)14-15(6,7)11(2,3)4/h9-10H,8H2,1-7H3
InChIKeySQTNVDSEAULJRG-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.13
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'}

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Related Compounds

(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol
CID 11199521
tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 88699040
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 46237117
tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane
CID 177408454
(Z,2R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethylbut-3-enenitrile
CID 102246695
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;2-iodobutan-2-ol
CID 174377351
(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid
CID 11101162
methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate
CID 14903688
tert-butyl-[(E)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 101405389
(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-7-ene-1,3-diol
CID 91130793
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane (CID 173222661) is tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane is CCC(C)(C=CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane?
The InChIKey is SQTNVDSEAULJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-8-12(5,9-10-13)14-15(6,7)11(2,3)4/h9-10H,8H2,1-7H3.
What are the key properties of tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane?
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 173222661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).