(3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one

C12H22O2Si — CID 10998723

IUPAC(3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one
SMILESC[Si](C)(C)[C@@H]1C(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C12H22O2Si/c1-15(2,3)11-10(14-12(11)13)9-7-5-4-6-8-9/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyZJNSLXJRMWMDLA-MNOVXSKESA-N
MW226.39 g/mol
LogP3.20
Rot. Bonds2

About (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one

(3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one (PubChem CID 10998723) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one
PubChem CID10998723
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one
SMILESC[Si](C)(C)[C@@H]1C(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C12H22O2Si/c1-15(2,3)11-10(14-12(11)13)9-7-5-4-6-8-9/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyZJNSLXJRMWMDLA-MNOVXSKESA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one?
The IUPAC name of (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one (CID 10998723) is (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one.
What is the SMILES notation for (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one?
The canonical SMILES for (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one is C[Si](C)(C)[C@@H]1C(=O)O[C@@H]1C1CCCCC1.
What is the InChIKey of (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one?
The InChIKey is ZJNSLXJRMWMDLA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22O2Si/c1-15(2,3)11-10(14-12(11)13)9-7-5-4-6-8-9/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one?
(3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one has a molecular weight of 226.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclohexyl-3-trimethylsilyloxetan-2-one is sourced from PubChem (CID 10998723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).