chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane

C18H32Cl2O2Si2 — CID 90027286

IUPACchloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane
SMILESC[Si](C)(Cl)CCCOCc1cccc(COCCC[Si](C)(C)Cl)c1
InChIInChI=1S/C18H32Cl2O2Si2/c1-23(2,19)12-6-10-21-15-17-8-5-9-18(14-17)16-22-11-7-13-24(3,4)20/h5,8-9,14H,6-7,10-13,15-16H2,1-4H3
InChIKeyBCLXYYSPWRIYDT-UHFFFAOYSA-N
MW407.53 g/mol
LogP6.39
Rot. Bonds12

About chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane

chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane (PubChem CID 90027286) has the molecular formula C18H32Cl2O2Si2 and a molecular weight of 407.53 g/mol. Its IUPAC name is chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane
PubChem CID90027286
Molecular FormulaC18H32Cl2O2Si2
Molecular Weight407.53 g/mol
Exact Mass406.13
IUPAC Namechloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane
SMILESC[Si](C)(Cl)CCCOCc1cccc(COCCC[Si](C)(C)Cl)c1
InChIInChI=1S/C18H32Cl2O2Si2/c1-23(2,19)12-6-10-21-15-17-8-5-9-18(14-17)16-22-11-7-13-24(3,4)20/h5,8-9,14H,6-7,10-13,15-16H2,1-4H3
InChIKeyBCLXYYSPWRIYDT-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
CID 139617910
ethane;3-[(3-ethylphenyl)methoxy]propan-1-amine
CID 142365545
1,3-bis(2-iodoethoxymethyl)benzene
CID 139952966
trimethyl(11-phenylmethoxyundecyl)silane
CID 20775242
1-(4-chlorobutoxymethyl)-3-[3-(4-chlorobutoxymethyl)phenyl]benzene
CID 139954468
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
1-bromo-3-(4-methylpentoxymethyl)benzene
CID 55219648
tribromo(3-phenylmethoxypropyl)silane
CID 66954985
1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene
CID 101169604
1-bromo-3-(3-chloropropoxymethyl)benzene
CID 82828412
1-(2-bromoethyl)-3-(3-phenylmethoxypropoxymethyl)benzene
CID 69436403

Frequently Asked Questions

What is the IUPAC name of chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane?
The IUPAC name of chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane (CID 90027286) is chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane.
What is the SMILES notation for chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane?
The canonical SMILES for chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane is C[Si](C)(Cl)CCCOCc1cccc(COCCC[Si](C)(C)Cl)c1.
What is the InChIKey of chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane?
The InChIKey is BCLXYYSPWRIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32Cl2O2Si2/c1-23(2,19)12-6-10-21-15-17-8-5-9-18(14-17)16-22-11-7-13-24(3,4)20/h5,8-9,14H,6-7,10-13,15-16H2,1-4H3.
What are the key properties of chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane?
chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane has a molecular weight of 407.53 g/mol, XLogP of 6.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane is sourced from PubChem (CID 90027286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).