(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane

C12H19ClOSi — CID 70549768

IUPAC(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C(CCl)COc1ccccc1
InChIInChI=1S/C12H19ClOSi/c1-15(2,3)12(9-13)10-14-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyOFKOFPAWVRMTLW-UHFFFAOYSA-N
MW242.82 g/mol
LogP4.01
Rot. Bonds5

About (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane

(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane (PubChem CID 70549768) has the molecular formula C12H19ClOSi and a molecular weight of 242.82 g/mol. Its IUPAC name is (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane
PubChem CID70549768
Molecular FormulaC12H19ClOSi
Molecular Weight242.82 g/mol
Exact Mass242.09
IUPAC Name(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C(CCl)COc1ccccc1
InChIInChI=1S/C12H19ClOSi/c1-15(2,3)12(9-13)10-14-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyOFKOFPAWVRMTLW-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 142401703
CID 142401703
2-(phenoxymethyl)pent-3-enoxybenzene
CID 141070463
ethane;1-phenoxypropan-2-ol
CID 90926921
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate
CID 10803784
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
2,3-difluorobutoxybenzene
CID 53412752
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
CID 141099859
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
amino(1-phenoxypropan-2-yl)azanium
CID 20838095
ethane;1-phenoxypropan-2-ol;propane
CID 90979198

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane?
The IUPAC name of (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane (CID 70549768) is (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane.
What is the SMILES notation for (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane?
The canonical SMILES for (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane is C[Si](C)(C)C(CCl)COc1ccccc1.
What is the InChIKey of (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane?
The InChIKey is OFKOFPAWVRMTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClOSi/c1-15(2,3)12(9-13)10-14-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane?
(1-chloro-3-phenoxypropan-2-yl)-trimethylsilane has a molecular weight of 242.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-phenoxypropan-2-yl)-trimethylsilane is sourced from PubChem (CID 70549768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).