chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane

C17H31ClO2Si2 — CID 123328360

IUPACchloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
SMILESC[Si](C)(C)CCCOc1ccc(OCCC[Si](C)(C)Cl)cc1
InChIInChI=1S/C17H31ClO2Si2/c1-21(2,3)14-6-12-19-16-8-10-17(11-9-16)20-13-7-15-22(4,5)18/h8-11H,6-7,12-15H2,1-5H3
InChIKeyQHMGRGYQCQVEHQ-UHFFFAOYSA-N
MW359.06 g/mol
LogP6.01
Rot. Bonds10

About chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane

chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane (PubChem CID 123328360) has the molecular formula C17H31ClO2Si2 and a molecular weight of 359.06 g/mol. Its IUPAC name is chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane.

Molecular Properties

Compound Namechloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
PubChem CID123328360
Molecular FormulaC17H31ClO2Si2
Molecular Weight359.06 g/mol
Exact Mass358.16
IUPAC Namechloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane
SMILESC[Si](C)(C)CCCOc1ccc(OCCC[Si](C)(C)Cl)cc1
InChIInChI=1S/C17H31ClO2Si2/c1-21(2,3)14-6-12-19-16-8-10-17(11-9-16)20-13-7-15-22(4,5)18/h8-11H,6-7,12-15H2,1-5H3
InChIKeyQHMGRGYQCQVEHQ-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.06
LogP ≤ 56.01
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

3-[3,5-bis[3-[bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilyl]propoxy]phenoxy]propyl-bis[3-[bis[3-[chloro(dimethyl)silyl]propyl]-methylsilyl]propyl]-methylsilane
CID 102259085
4-(7-trimethylsilylheptoxy)phenol
CID 169298048
hydroxy-[3-[4-[3-[hydroxy(dimethyl)silyl]propoxy]phenoxy]propyl]-dimethylsilane
CID 123925511
3-(4-bromo-3-chlorophenoxy)propyl-trimethylsilane
CID 164578565
3-[4-(2-iodophenyl)phenoxy]propyl-trimethylsilane
CID 22116672
trichloro-[3-[4-[4-(3-trichlorosilylpropoxy)phenyl]sulfanylphenoxy]propyl]silane
CID 139776557
4-[[butyl(dimethyl)silyl]methoxy]benzaldehyde;4-(3-trimethylsilylpropoxy)benzaldehyde
CID 159703076
1,4-bis(3-chloropropoxy)benzene
CID 20523958
N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
CID 175703258
(4-butoxyphenyl)-dichloro-hexylsilane
CID 139899604
tetrakis[3-[chloro(dimethyl)silyl]propyl] silicate
CID 15448106
trimethyl-[3-[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-2-yl]phenoxy]propyl]silane
CID 58983689

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
The IUPAC name of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane (CID 123328360) is chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane.
What is the SMILES notation for chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
The canonical SMILES for chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane is C[Si](C)(C)CCCOc1ccc(OCCC[Si](C)(C)Cl)cc1.
What is the InChIKey of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
The InChIKey is QHMGRGYQCQVEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31ClO2Si2/c1-21(2,3)14-6-12-19-16-8-10-17(11-9-16)20-13-7-15-22(4,5)18/h8-11H,6-7,12-15H2,1-5H3.
What are the key properties of chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane?
chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane has a molecular weight of 359.06 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[3-[4-(3-trimethylsilylpropoxy)phenoxy]propyl]silane is sourced from PubChem (CID 123328360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).