ditert-butyl-bis(3,4-dimethoxyphenoxy)silane

C24H36O6Si — CID 10765897

IUPACditert-butyl-bis(3,4-dimethoxyphenoxy)silane
SMILESCOc1ccc(O[Si](Oc2ccc(OC)c(OC)c2)(C(C)(C)C)C(C)(C)C)cc1OC
InChIInChI=1S/C24H36O6Si/c1-23(2,3)31(24(4,5)6,29-17-11-13-19(25-7)21(15-17)27-9)30-18-12-14-20(26-8)22(16-18)28-10/h11-16H,1-10H3
InChIKeyRDYIBRFIJQJPLR-UHFFFAOYSA-N
MW448.63 g/mol
LogP6.22
Rot. Bonds8

About ditert-butyl-bis(3,4-dimethoxyphenoxy)silane

ditert-butyl-bis(3,4-dimethoxyphenoxy)silane (PubChem CID 10765897) has the molecular formula C24H36O6Si and a molecular weight of 448.63 g/mol. Its IUPAC name is ditert-butyl-bis(3,4-dimethoxyphenoxy)silane.

Molecular Properties

Compound Nameditert-butyl-bis(3,4-dimethoxyphenoxy)silane
PubChem CID10765897
Molecular FormulaC24H36O6Si
Molecular Weight448.63 g/mol
Exact Mass448.23
IUPAC Nameditert-butyl-bis(3,4-dimethoxyphenoxy)silane
SMILESCOc1ccc(O[Si](Oc2ccc(OC)c(OC)c2)(C(C)(C)C)C(C)(C)C)cc1OC
InChIInChI=1S/C24H36O6Si/c1-23(2,3)31(24(4,5)6,29-17-11-13-19(25-7)21(15-17)27-9)30-18-12-14-20(26-8)22(16-18)28-10/h11-16H,1-10H3
InChIKeyRDYIBRFIJQJPLR-UHFFFAOYSA-N
XLogP6.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
tris(3,4-dimethoxyphenyl) borate
CID 67306182
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
(3,4-dimethoxyphenoxy) hypochlorite
CID 88615367
tert-butyl-(3,4-dimethoxyphenyl)-difluorosilane
CID 71378695
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium
CID 154709445
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-bis(3,4-dimethoxyphenoxy)silane?
The IUPAC name of ditert-butyl-bis(3,4-dimethoxyphenoxy)silane (CID 10765897) is ditert-butyl-bis(3,4-dimethoxyphenoxy)silane.
What is the SMILES notation for ditert-butyl-bis(3,4-dimethoxyphenoxy)silane?
The canonical SMILES for ditert-butyl-bis(3,4-dimethoxyphenoxy)silane is COc1ccc(O[Si](Oc2ccc(OC)c(OC)c2)(C(C)(C)C)C(C)(C)C)cc1OC.
What is the InChIKey of ditert-butyl-bis(3,4-dimethoxyphenoxy)silane?
The InChIKey is RDYIBRFIJQJPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O6Si/c1-23(2,3)31(24(4,5)6,29-17-11-13-19(25-7)21(15-17)27-9)30-18-12-14-20(26-8)22(16-18)28-10/h11-16H,1-10H3.
What are the key properties of ditert-butyl-bis(3,4-dimethoxyphenoxy)silane?
ditert-butyl-bis(3,4-dimethoxyphenoxy)silane has a molecular weight of 448.63 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-bis(3,4-dimethoxyphenoxy)silane is sourced from PubChem (CID 10765897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).