[(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane

C15H31IOSi — CID 90799494

IUPAC[(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(=CI)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H31IOSi/c1-11(2)18(12(3)4,13(5)6)17-15(8)9-14(7)10-16/h10-13,15H,9H2,1-8H3/t15-/m0/s1
InChIKeyGTRWFACTEJOGCC-HNNXBMFYSA-N
MW382.40 g/mol
LogP6.30
Rot. Bonds7

About [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane

[(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 90799494) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID90799494
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name[(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(=CI)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H31IOSi/c1-11(2)18(12(3)4,13(5)6)17-15(8)9-14(7)10-16/h10-13,15H,9H2,1-8H3/t15-/m0/s1
InChIKeyGTRWFACTEJOGCC-HNNXBMFYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 56.30
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

Silane, (1,1-dimethylethyl)(((3E)-4-iodo-3-methyl-3-buten-1-yl)oxy)dimethyl-
CID 6443108
tert-butyl-dimethyl-[(3R)-2-methylpent-1-en-3-yl]oxysilane
CID 12568505
tert-butyl-[(E)-5-iodo-4-methylpent-4-enoxy]-dimethylsilane
CID 10359885
tert-butyl-[(E,2S)-7-iodohept-6-en-2-yl]oxy-dimethylsilane
CID 10713094
Tert-butyl-(2,4-dimethylpenta-1,4-dien-3-yloxy)-dimethylsilane
CID 11172192
[(3R)-1-iodohex-5-en-3-yl]oxy-tri(propan-2-yl)silane
CID 24998123
Tert-butyl-(4-iodo-2-methylidenebutoxy)-dimethylsilane
CID 57326522
Tert-butyl-(1-iodohepta-1,6-dien-3-yloxy)-dimethylsilane
CID 91559483
ethenyl-[(7Z)-8-iodoocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 101161624
6-[(Z)-4-iodobut-3-enyl]-2,2-dimethyl-5,6-dihydrooxasiline
CID 101161632
tert-butyl-[(E)-4-iodo-3-methylbut-3-en-2-yl]oxy-dimethylsilane
CID 134886912
tert-butyl-[(1Z,3S)-1-iodo-6-methylhepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 134898148

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane (CID 90799494) is [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane is CC(=CI)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is GTRWFACTEJOGCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-11(2)18(12(3)4,13(5)6)17-15(8)9-14(7)10-16/h10-13,15H,9H2,1-8H3/t15-/m0/s1.
What are the key properties of [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
[(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 382.40 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 90799494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).