[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane

C13H21ClOSi — CID 159975802

IUPAC[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane
SMILESCC(C)[C@H](O[Si](C)(C)C)c1ccccc1Cl
InChIInChI=1S/C13H21ClOSi/c1-10(2)13(15-16(3,4)5)11-8-6-7-9-12(11)14/h6-10,13H,1-5H3/t13-/m0/s1
InChIKeyOFDHQZMISMTVDR-ZDUSSCGKSA-N
MW256.85 g/mol
LogP4.89
Rot. Bonds4

About [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane

[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane (PubChem CID 159975802) has the molecular formula C13H21ClOSi and a molecular weight of 256.85 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane
PubChem CID159975802
Molecular FormulaC13H21ClOSi
Molecular Weight256.85 g/mol
Exact Mass256.11
IUPAC Name[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane
SMILESCC(C)[C@H](O[Si](C)(C)C)c1ccccc1Cl
InChIInChI=1S/C13H21ClOSi/c1-10(2)13(15-16(3,4)5)11-8-6-7-9-12(11)14/h6-10,13H,1-5H3/t13-/m0/s1
InChIKeyOFDHQZMISMTVDR-ZDUSSCGKSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.85
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-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

1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-(2-fluorophenyl)-1-trimethylsilyloxypropan-2-amine
CID 112548408
1-chloro-2-(2,2,4-trimethylpentan-3-yl)benzene
CID 154618386
[1-[2-chloro-6-(iodomethyl)phenyl]-3-methyl-1-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
CID 90430909
1-(2-chlorophenyl)ethylazanium chloride
CID 160644474
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
2-chlorobenzaldehyde;(2S)-2-(2-chlorophenyl)-2-trimethylsilyloxyacetonitrile
CID 158704674
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
(2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 147232320

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane?
The IUPAC name of [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane (CID 159975802) is [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane is CC(C)[C@H](O[Si](C)(C)C)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane?
The InChIKey is OFDHQZMISMTVDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21ClOSi/c1-10(2)13(15-16(3,4)5)11-8-6-7-9-12(11)14/h6-10,13H,1-5H3/t13-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane?
[(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane has a molecular weight of 256.85 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)-2-methylpropoxy]-trimethylsilane is sourced from PubChem (CID 159975802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).