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

C15H28O2Si — CID 134989070

IUPAC(3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one
SMILESCC[Si](CC)(CC)[C@H]1C(=O)O[C@H]1C1CCCCC1
InChIInChI=1S/C15H28O2Si/c1-4-18(5-2,6-3)14-13(17-15(14)16)12-10-8-7-9-11-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyITOUMKKXEDHJPE-UONOGXRCSA-N
MW268.47 g/mol
LogP4.37
Rot. Bonds5

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

(3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one (PubChem CID 134989070) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one
PubChem CID134989070
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one
SMILESCC[Si](CC)(CC)[C@H]1C(=O)O[C@H]1C1CCCCC1
InChIInChI=1S/C15H28O2Si/c1-4-18(5-2,6-3)14-13(17-15(14)16)12-10-8-7-9-11-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyITOUMKKXEDHJPE-UONOGXRCSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.37
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 (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one?
The IUPAC name of (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one (CID 134989070) is (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one.
What is the SMILES notation for (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one?
The canonical SMILES for (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one is CC[Si](CC)(CC)[C@H]1C(=O)O[C@H]1C1CCCCC1.
What is the InChIKey of (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one?
The InChIKey is ITOUMKKXEDHJPE-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-4-18(5-2,6-3)14-13(17-15(14)16)12-10-8-7-9-11-12/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one?
(3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one has a molecular weight of 268.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclohexyl-3-triethylsilyloxetan-2-one is sourced from PubChem (CID 134989070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).