1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane

C16H30O4Si2 — CID 67331069

IUPAC1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCc1cccc(C(C)[Si](C)(OC)OC)c1)OC
InChIInChI=1S/C16H30O4Si2/c1-14(22(7,19-4)20-5)16-10-8-9-15(13-16)11-12-21(6,17-2)18-3/h8-10,13-14H,11-12H2,1-7H3
InChIKeyXGHKKMWYRBNNQM-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.60
Rot. Bonds9

About 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane

1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane (PubChem CID 67331069) has the molecular formula C16H30O4Si2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
PubChem CID67331069
Molecular FormulaC16H30O4Si2
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Name1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
SMILESCO[Si](C)(CCc1cccc(C(C)[Si](C)(OC)OC)c1)OC
InChIInChI=1S/C16H30O4Si2/c1-14(22(7,19-4)20-5)16-10-8-9-15(13-16)11-12-21(6,17-2)18-3/h8-10,13-14H,11-12H2,1-7H3
InChIKeyXGHKKMWYRBNNQM-UHFFFAOYSA-N
XLogP3.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
2-[2-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66883166
1-[2-[1-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66858091
4-[2-[dimethoxy(methyl)silyl]ethyl]benzenesulfonyl bromide
CID 139944643
tributyl-[2-[3-(1-chloroethyl)phenyl]ethyl]silane
CID 152501553
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
1-(3-propylphenyl)ethanamine
CID 116543909
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
benzhydryl-dimethoxy-methylsilane
CID 54061567
1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
1-(1-bromoethyl)-3-(methoxymethyl)benzene
CID 174626315

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane?
The IUPAC name of 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane (CID 67331069) is 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane.
What is the SMILES notation for 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane?
The canonical SMILES for 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane is CO[Si](C)(CCc1cccc(C(C)[Si](C)(OC)OC)c1)OC.
What is the InChIKey of 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane?
The InChIKey is XGHKKMWYRBNNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si2/c1-14(22(7,19-4)20-5)16-10-8-9-15(13-16)11-12-21(6,17-2)18-3/h8-10,13-14H,11-12H2,1-7H3.
What are the key properties of 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane?
1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane has a molecular weight of 342.58 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane is sourced from PubChem (CID 67331069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).