1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane

C12H30O4Si2 — CID 173017003

IUPAC1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane
SMILESCOC(C)(OC)[SiH2]CCCC[SiH2]C(C)(OC)OC
InChIInChI=1S/C12H30O4Si2/c1-11(13-3,14-4)17-9-7-8-10-18-12(2,15-5)16-6/h7-10,17-18H2,1-6H3
InChIKeyBRHCYJMAZROKTH-UHFFFAOYSA-N
MW294.54 g/mol
LogP0.87
Rot. Bonds11

About 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane

1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane (PubChem CID 173017003) has the molecular formula C12H30O4Si2 and a molecular weight of 294.54 g/mol. Its IUPAC name is 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane.

Molecular Properties

Compound Name1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane
PubChem CID173017003
Molecular FormulaC12H30O4Si2
Molecular Weight294.54 g/mol
Exact Mass294.17
IUPAC Name1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane
SMILESCOC(C)(OC)[SiH2]CCCC[SiH2]C(C)(OC)OC
InChIInChI=1S/C12H30O4Si2/c1-11(13-3,14-4)17-9-7-8-10-18-12(2,15-5)16-6/h7-10,17-18H2,1-6H3
InChIKeyBRHCYJMAZROKTH-UHFFFAOYSA-N
XLogP0.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane
CID 123437532
1,1-dimethoxyethylsilylmethanamine
CID 173147351
1,1-di(propan-2-yloxy)ethyl-[4-[1,1-di(propan-2-yloxy)ethylsilyl]butyl]silane
CID 173016836
N-[3-[diethyl(methoxy)silyl]propyl]-3-(1,1-dimethoxyethylsilyl)propan-1-amine
CID 174617421
4-(1,1-diethoxyethylsilyl)butan-1-amine
CID 71340300
3-bromopropyl(1,1-diethoxyethyl)silane
CID 173419111
1,1-dimethoxypropyl(hexyl)silane
CID 175001852
butyl(1,1-dimethoxypropyl)silane
CID 175005469
trimethoxymethyl-[3-[3-(trimethoxymethylsilyl)propyldisulfanyl]propyl]silane
CID 163816566
1,1-dipropoxyethyl-[2-(1,1-dipropoxyethylsilyl)ethyl]silane
CID 173016785
6-(2-methoxypropan-2-ylsilyl)-2-methylhex-1-en-3-one
CID 123495832
N'-[3-(trimethoxymethylsilyl)propyl]ethane-1,2-diamine
CID 154228048

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane?
The IUPAC name of 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane (CID 173017003) is 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane.
What is the SMILES notation for 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane?
The canonical SMILES for 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane is COC(C)(OC)[SiH2]CCCC[SiH2]C(C)(OC)OC.
What is the InChIKey of 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane?
The InChIKey is BRHCYJMAZROKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O4Si2/c1-11(13-3,14-4)17-9-7-8-10-18-12(2,15-5)16-6/h7-10,17-18H2,1-6H3.
What are the key properties of 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane?
1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane has a molecular weight of 294.54 g/mol, XLogP of 0.87, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane is sourced from PubChem (CID 173017003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).