[(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane

C12H24OSi — CID 5388245

IUPAC[(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane
SMILESC[C@@H]1CC/C=C(/[Si](C)(C)C)C[C@H](C)O1
InChIInChI=1S/C12H24OSi/c1-10-7-6-8-12(14(3,4)5)9-11(2)13-10/h8,10-11H,6-7,9H2,1-5H3/b12-8+/t10-,11+/m1/s1
InChIKeyIMKSSOFJQONNRC-RJEBGXRKSA-N
MW212.41 g/mol
LogP3.77
Rot. Bonds1

About [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane

[(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane (PubChem CID 5388245) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane
PubChem CID5388245
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name[(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane
SMILESC[C@@H]1CC/C=C(/[Si](C)(C)C)C[C@H](C)O1
InChIInChI=1S/C12H24OSi/c1-10-7-6-8-12(14(3,4)5)9-11(2)13-10/h8,10-11H,6-7,9H2,1-5H3/b12-8+/t10-,11+/m1/s1
InChIKeyIMKSSOFJQONNRC-RJEBGXRKSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane?
The IUPAC name of [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane (CID 5388245) is [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane.
What is the SMILES notation for [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane?
The canonical SMILES for [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane is C[C@@H]1CC/C=C(/[Si](C)(C)C)C[C@H](C)O1.
What is the InChIKey of [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane?
The InChIKey is IMKSSOFJQONNRC-RJEBGXRKSA-N. The full InChI is InChI=1S/C12H24OSi/c1-10-7-6-8-12(14(3,4)5)9-11(2)13-10/h8,10-11H,6-7,9H2,1-5H3/b12-8+/t10-,11+/m1/s1.
What are the key properties of [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane?
[(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5E,8S)-2,8-dimethyl-3,4,7,8-tetrahydro-2H-oxocin-6-yl]-trimethylsilane is sourced from PubChem (CID 5388245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).