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

C15H31IOSi — CID 58902916

IUPAC[(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESC/C(=C\I)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/b14-10+/t15-/m0/s1
InChIKeyGTRWFACTEJOGCC-IPJDOKCGSA-N
MW382.40 g/mol
LogP6.30
Rot. Bonds7

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

[(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 58902916) has the molecular formula C15H31IOSi and a molecular weight of 382.40 g/mol. Its IUPAC name is [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID58902916
Molecular FormulaC15H31IOSi
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name[(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESC/C(=C\I)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/b14-10+/t15-/m0/s1
InChIKeyGTRWFACTEJOGCC-IPJDOKCGSA-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'}

Analyze [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane (CID 58902916) is [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane is C/C(=C\I)C[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is GTRWFACTEJOGCC-IPJDOKCGSA-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/b14-10+/t15-/m0/s1.
What are the key properties of [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane?
[(E,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 [(E,2S)-5-iodo-4-methylpent-4-en-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 58902916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).