[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane

C15H24O3Si — CID 123166160

IUPAC[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane
SMILESCCOC(C)Oc1ccc(CCC(C)(C)[SiH]=O)cc1
InChIInChI=1S/C15H24O3Si/c1-5-17-12(2)18-14-8-6-13(7-9-14)10-11-15(3,4)19-16/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyIBXFYRSVNPIOHK-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.36
Rot. Bonds8

About [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane

[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane (PubChem CID 123166160) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane.

Molecular Properties

Compound Name[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane
PubChem CID123166160
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane
SMILESCCOC(C)Oc1ccc(CCC(C)(C)[SiH]=O)cc1
InChIInChI=1S/C15H24O3Si/c1-5-17-12(2)18-14-8-6-13(7-9-14)10-11-15(3,4)19-16/h6-9,12,19H,5,10-11H2,1-4H3
InChIKeyIBXFYRSVNPIOHK-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
triethoxy-[3-[4-(1-ethoxyethoxy)phenyl]propyl]silane
CID 123955246
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 139654696
1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
CID 90815558
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
tert-butyl 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoate
CID 54137263
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane?
The IUPAC name of [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane (CID 123166160) is [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane.
What is the SMILES notation for [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane?
The canonical SMILES for [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane is CCOC(C)Oc1ccc(CCC(C)(C)[SiH]=O)cc1.
What is the InChIKey of [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane?
The InChIKey is IBXFYRSVNPIOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-5-17-12(2)18-14-8-6-13(7-9-14)10-11-15(3,4)19-16/h6-9,12,19H,5,10-11H2,1-4H3.
What are the key properties of [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane?
[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane has a molecular weight of 280.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane is sourced from PubChem (CID 123166160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).