tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane

C14H27IOSi — CID 54075058

IUPACtert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C=CI)C1CCCC1
InChIInChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13(10-11-15)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3
InChIKeyMJCOEOCCUDZIBW-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.52
Rot. Bonds4

About tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane

tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane (PubChem CID 54075058) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane
PubChem CID54075058
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Nametert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C=CI)C1CCCC1
InChIInChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13(10-11-15)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3
InChIKeyMJCOEOCCUDZIBW-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.52
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

[(Z,1R)-1-cyclohexyl-3-iodoprop-2-enoxy]-trimethylsilane
CID 22822227
tert-butyl-[(1R)-1-cyclopropylprop-2-enoxy]-dimethylsilane
CID 67046197
tert-butyl-[(E,1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-3-enoxy]-dimethylsilane
CID 10693040
1-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpropan-2-ol
CID 166437528
tert-butyl-(1-cyclopentylprop-2-ynoxy)-dimethylsilane
CID 14314323
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
(5E)-5-[(3aS,4R,6aS)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylprop-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-2-oxopentanoic acid
CID 18598034
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropan-1-ol
CID 19966072
2-[(2S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetaldehyde
CID 134692437
methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
CID 11093935
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
(3-iodo-1-trityloxyprop-2-enyl)cycloheptane
CID 54248080

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane (CID 54075058) is tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OC(C=CI)C1CCCC1.
What is the InChIKey of tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane?
The InChIKey is MJCOEOCCUDZIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-14(2,3)17(4,5)16-13(10-11-15)12-8-6-7-9-12/h10-13H,6-9H2,1-5H3.
What are the key properties of tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane?
tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane is sourced from PubChem (CID 54075058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).