(2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane

C12H18Cl2OSi — CID 594629

IUPAC(2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane
SMILESCC(C)[Si](C)(C)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2OSi/c1-9(2)16(3,4)15-8-10-5-6-11(13)7-12(10)14/h5-7,9H,8H2,1-4H3
InChIKeyHNYMMYGPTWJUON-UHFFFAOYSA-N
MW277.27 g/mol
LogP5.13
Rot. Bonds4

About (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane

(2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane (PubChem CID 594629) has the molecular formula C12H18Cl2OSi and a molecular weight of 277.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane
PubChem CID594629
Molecular FormulaC12H18Cl2OSi
Molecular Weight277.27 g/mol
Exact Mass276.05
IUPAC Name(2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane
SMILESCC(C)[Si](C)(C)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2OSi/c1-9(2)16(3,4)15-8-10-5-6-11(13)7-12(10)14/h5-7,9H,8H2,1-4H3
InChIKeyHNYMMYGPTWJUON-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.27
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

O-(2,4-Dichlorobenzyl)hydroxylamine hydrochloride
CID 2764014
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
O-(2,4-Dichlorobenzyl)hydroxylamine
CID 468125
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
Triethyl(4-chlorobenzyloxy)silane
CID 580827
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
2-Chloro-6-fluorobenzyl alcohol, bromomethyldimethylsilyl ether
CID 91735266
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
2-Chloro-6-fluorobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether
CID 91735268
(2,6-Dichlorophenyl)metanol, dimethylpentafluorophenylsilyl ether
CID 91744443
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane?
The IUPAC name of (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane (CID 594629) is (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane.
What is the SMILES notation for (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane?
The canonical SMILES for (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane is CC(C)[Si](C)(C)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane?
The InChIKey is HNYMMYGPTWJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2OSi/c1-9(2)16(3,4)15-8-10-5-6-11(13)7-12(10)14/h5-7,9H,8H2,1-4H3.
What are the key properties of (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane?
(2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane has a molecular weight of 277.27 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methoxy-dimethyl-propan-2-ylsilane is sourced from PubChem (CID 594629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).