[(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

C12H23IOSi — CID 101495836

IUPAC[(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCCC[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C
InChIInChI=1S/C12H23IOSi/c1-6-7-11-12(15(3,4)5)10(13)8-9(2)14-11/h9,11H,6-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyLNBWBSCIUSSDRR-GXSJLCMTSA-N
MW338.31 g/mol
LogP4.53
Rot. Bonds3

About [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane

[(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (PubChem CID 101495836) has the molecular formula C12H23IOSi and a molecular weight of 338.31 g/mol. Its IUPAC name is [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
PubChem CID101495836
Molecular FormulaC12H23IOSi
Molecular Weight338.31 g/mol
Exact Mass338.06
IUPAC Name[(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
SMILESCCC[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C
InChIInChI=1S/C12H23IOSi/c1-6-7-11-12(15(3,4)5)10(13)8-9(2)14-11/h9,11H,6-8H2,1-5H3/t9-,11+/m0/s1
InChIKeyLNBWBSCIUSSDRR-GXSJLCMTSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 54.53
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 [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

[(2S,6S)-6-butan-2-yl-4-chloro-2-methyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane
CID 134992589
6-methyl-2-octyl-1,3-dioxan-4-one
CID 549723
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
2-methyl-4-propyl-4,5-dihydro-1,3-oxazole
CID 59112144
3-propyldioxetane
CID 20778371
2-methyl-5-octadecyloxolane
CID 167511066
(2R,4S,6S)-4-chloro-2-methyl-6-propyloxane
CID 131010757
4-bromo-3-iodo-2-phenyl-5-propyl-2,5-dihydrofuran
CID 46915267
3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran
CID 154711489
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
CID 131847771
dibromopalladium;2,4-dipropyl-4,5-dihydro-1,3-oxazole
CID 87869832
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The IUPAC name of [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane (CID 101495836) is [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane.
What is the SMILES notation for [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The canonical SMILES for [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is CCC[C@H]1O[C@@H](C)CC(I)=C1[Si](C)(C)C.
What is the InChIKey of [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
The InChIKey is LNBWBSCIUSSDRR-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H23IOSi/c1-6-7-11-12(15(3,4)5)10(13)8-9(2)14-11/h9,11H,6-8H2,1-5H3/t9-,11+/m0/s1.
What are the key properties of [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane?
[(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane has a molecular weight of 338.31 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-iodo-2-methyl-6-propyl-3,6-dihydro-2H-pyran-5-yl]-trimethylsilane is sourced from PubChem (CID 101495836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).