(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane

C42H58O9Si — CID 173473706

IUPAC(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane
SMILESCOc1c(C)c(OC)c([Si](c2c(C)c(OC)c(OC)c(C)c2OC)(c2c(C)c(OC)c(OC)c(C)c2OC)C2C(C)=C(C)C(C)=C2C)c(C)c1OC
InChIInChI=1S/C42H58O9Si/c1-20-21(2)23(4)39(22(20)3)52(40-27(8)33(46-14)30(43-11)24(5)36(40)49-17,41-28(9)34(47-15)31(44-12)25(6)37(41)50-18)42-29(10)35(48-16)32(45-13)26(7)38(42)51-19/h39H,1-19H3
InChIKeyPSWJMNITQWDFHL-UHFFFAOYSA-N
MW735.00 g/mol
LogP7.14
Rot. Bonds13

About (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane

(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane (PubChem CID 173473706) has the molecular formula C42H58O9Si and a molecular weight of 735.00 g/mol. Its IUPAC name is (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane.

Molecular Properties

Compound Name(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane
PubChem CID173473706
Molecular FormulaC42H58O9Si
Molecular Weight735.00 g/mol
Exact Mass734.39
IUPAC Name(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane
SMILESCOc1c(C)c(OC)c([Si](c2c(C)c(OC)c(OC)c(C)c2OC)(c2c(C)c(OC)c(OC)c(C)c2OC)C2C(C)=C(C)C(C)=C2C)c(C)c1OC
InChIInChI=1S/C42H58O9Si/c1-20-21(2)23(4)39(22(20)3)52(40-27(8)33(46-14)30(43-11)24(5)36(40)49-17,41-28(9)34(47-15)31(44-12)25(6)37(41)50-18)42-29(10)35(48-16)32(45-13)26(7)38(42)51-19/h39H,1-19H3
InChIKeyPSWJMNITQWDFHL-UHFFFAOYSA-N
XLogP7.14
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.00
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474089
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 87556260
1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene
CID 118455439
2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
CID 10775498
titanium(4+);tris(2,3,5,6-tetramethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 158227677
1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 11822906
4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane?
The IUPAC name of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane (CID 173473706) is (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane.
What is the SMILES notation for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane?
The canonical SMILES for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane is COc1c(C)c(OC)c([Si](c2c(C)c(OC)c(OC)c(C)c2OC)(c2c(C)c(OC)c(OC)c(C)c2OC)C2C(C)=C(C)C(C)=C2C)c(C)c1OC.
What is the InChIKey of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane?
The InChIKey is PSWJMNITQWDFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H58O9Si/c1-20-21(2)23(4)39(22(20)3)52(40-27(8)33(46-14)30(43-11)24(5)36(40)49-17,41-28(9)34(47-15)31(44-12)25(6)37(41)50-18)42-29(10)35(48-16)32(45-13)26(7)38(42)51-19/h39H,1-19H3.
What are the key properties of (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane?
(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane has a molecular weight of 735.00 g/mol, XLogP of 7.14, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,4,5-trimethoxy-3,6-dimethylphenyl)silane is sourced from PubChem (CID 173473706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).