2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane

C12H25IO2Si — CID 11002772

IUPAC2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC[C@H](OCOCC[Si](C)(C)C)/C(C)=C/I
InChIInChI=1S/C12H25IO2Si/c1-6-12(11(2)9-13)15-10-14-7-8-16(3,4)5/h9,12H,6-8,10H2,1-5H3/b11-9+/t12-/m0/s1
InChIKeyFZNVMSZIROARBH-ZKQHCESOSA-N
MW356.32 g/mol
LogP4.43
Rot. Bonds8

About 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 11002772) has the molecular formula C12H25IO2Si and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID11002772
Molecular FormulaC12H25IO2Si
Molecular Weight356.32 g/mol
Exact Mass356.07
IUPAC Name2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC[C@H](OCOCC[Si](C)(C)C)/C(C)=C/I
InChIInChI=1S/C12H25IO2Si/c1-6-12(11(2)9-13)15-10-14-7-8-16(3,4)5/h9,12H,6-8,10H2,1-5H3/b11-9+/t12-/m0/s1
InChIKeyFZNVMSZIROARBH-ZKQHCESOSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-iodo-3-(methoxymethoxy)hex-1-enyl]-trimethylsilane
CID 10427455
tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane
CID 10407781
Lithium 3-(methoxymethoxy)hex-1-enyl-trimethylsilane
CID 23691219
2-[[(E)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 102333247
5-Iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene
CID 102514294

Frequently Asked Questions

What is the IUPAC name of 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane (CID 11002772) is 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane is CC[C@H](OCOCC[Si](C)(C)C)/C(C)=C/I.
What is the InChIKey of 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is FZNVMSZIROARBH-ZKQHCESOSA-N. The full InChI is InChI=1S/C12H25IO2Si/c1-6-12(11(2)9-13)15-10-14-7-8-16(3,4)5/h9,12H,6-8,10H2,1-5H3/b11-9+/t12-/m0/s1.
What are the key properties of 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 356.32 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11002772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).