(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane

C18H21ClSi — CID 101044385

IUPAC(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane
SMILESCC[Si]1(Cl)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C18H21ClSi/c1-2-20(19)17(15-9-5-3-6-10-15)13-14-18(20)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyROUCLWGLTTUVFP-QZTJIDSGSA-N
MW300.91 g/mol
LogP5.63
Rot. Bonds3

About (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane

(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane (PubChem CID 101044385) has the molecular formula C18H21ClSi and a molecular weight of 300.91 g/mol. Its IUPAC name is (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane.

Molecular Properties

Compound Name(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane
PubChem CID101044385
Molecular FormulaC18H21ClSi
Molecular Weight300.91 g/mol
Exact Mass300.11
IUPAC Name(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane
SMILESCC[Si]1(Cl)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C18H21ClSi/c1-2-20(19)17(15-9-5-3-6-10-15)13-14-18(20)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyROUCLWGLTTUVFP-QZTJIDSGSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.91
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2,5-diphenylsilolane
CID 13168396
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
N-ethyl-2,5-diphenylphospholan-1-amine
CID 140850108
cyclopropylbenzene;ethylhydrazine
CID 22346635
1-(4-phenylcyclohexyl)propan-1-ol
CID 79298155
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
benzene;cyclopropylbenzene
CID 144638417
1-chloro-2,5-dimethyl-1-phenylsilolane
CID 15205261
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
(4-propylcyclohexyl)benzene
CID 155887669
(3-methylcyclopentyl)benzene;propane
CID 142973096
2-ethyl-3-phenylpyrrolidine
CID 62354556

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane?
The IUPAC name of (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane (CID 101044385) is (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane.
What is the SMILES notation for (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane?
The canonical SMILES for (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane is CC[Si]1(Cl)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane?
The InChIKey is ROUCLWGLTTUVFP-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21ClSi/c1-2-20(19)17(15-9-5-3-6-10-15)13-14-18(20)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane?
(2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane has a molecular weight of 300.91 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-chloro-1-ethyl-2,5-diphenylsilolane is sourced from PubChem (CID 101044385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).