[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane

C15H31IOSi — CID 44604241

IUPAC[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H](C)C/C=C/I)(C(C)C)C(C)C
InChIInChI=1S/C15H31IOSi/c1-12(2)18(13(3)4,14(5)6)17-11-15(7)9-8-10-16/h8,10,12-15H,9,11H2,1-7H3/b10-8+/t15-/m1/s1
InChIKeyCCRYWBWGSQJFST-TUPIDYKKSA-N
MW382.40 g/mol
LogP6.15
Rot. Bonds8

About [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane

[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane (PubChem CID 44604241) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane
PubChem CID44604241
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H](C)C/C=C/I)(C(C)C)C(C)C
InChIInChI=1S/C15H31IOSi/c1-12(2)18(13(3)4,14(5)6)17-11-15(7)9-8-10-16/h8,10,12-15H,9,11H2,1-7H3/b10-8+/t15-/m1/s1
InChIKeyCCRYWBWGSQJFST-TUPIDYKKSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.40
LogP ≤ 56.15
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)dimethyl(4-pentenyloxy)-
CID 10987285
(4e)-1-t-Butyldimethylsilyloxy-5-iodopent-4-ene
CID 11186422
tert-butyl-[(Z)-5-iodopent-4-enoxy]-dimethylsilane
CID 16680062
tert-butyl-dimethyl-[(2R)-2-methylpent-4-enoxy]silane
CID 11506762
tert-butyl-[(E)-4-iodobut-3-enoxy]-dimethylsilane
CID 11833923
tert-butyl-dimethyl-[(2S)-2-methylpent-4-enoxy]silane
CID 14038687
(E)-tert-Butyl((7-iodohept-6-en-1-yl)oxy)dimethylsilane
CID 60147005
tert-Butyl[(2,2-Dimethylpent-4-en-1-yl)oxy]dimethylsilane
CID 86629064
tert-butyl-[(E)-6-iodohex-5-enoxy]-dimethylsilane
CID 10893166
tert-butyl-dimethyl-[(E)-4-methylpent-1-enoxy]silane
CID 15123063
tert-butyl-[(E,2S)-4-iodo-2-methylbut-3-enoxy]-dimethylsilane
CID 16079536
tert-butyl-[(E,3S)-5-iodo-3,4-dimethylpent-4-enoxy]-dimethylsilane
CID 24865147

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane (CID 44604241) is [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC[C@H](C)C/C=C/I)(C(C)C)C(C)C.
What is the InChIKey of [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane?
The InChIKey is CCRYWBWGSQJFST-TUPIDYKKSA-N. The full InChI is InChI=1S/C15H31IOSi/c1-12(2)18(13(3)4,14(5)6)17-11-15(7)9-8-10-16/h8,10,12-15H,9,11H2,1-7H3/b10-8+/t15-/m1/s1.
What are the key properties of [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane?
[(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane has a molecular weight of 382.40 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-5-iodo-2-methylpent-4-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 44604241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).