3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione

C27H38O7Si2 — CID 15164067

IUPAC3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione
SMILESCOc1ccc(C(O[Si](C)(C)C)C2CC(C(O[Si](C)(C)C)c3ccc(OC)cc3)C(=O)OC2=O)cc1
InChIInChI=1S/C27H38O7Si2/c1-30-20-13-9-18(10-14-20)24(33-35(3,4)5)22-17-23(27(29)32-26(22)28)25(34-36(6,7)8)19-11-15-21(31-2)16-12-19/h9-16,22-25H,17H2,1-8H3
InChIKeySZQCEEMYPCAVIF-UHFFFAOYSA-N
MW530.77 g/mol
LogP5.90
Rot. Bonds10

About 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione

3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione (PubChem CID 15164067) has the molecular formula C27H38O7Si2 and a molecular weight of 530.77 g/mol. Its IUPAC name is 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione.

Molecular Properties

Compound Name3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione
PubChem CID15164067
Molecular FormulaC27H38O7Si2
Molecular Weight530.77 g/mol
Exact Mass530.22
IUPAC Name3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione
SMILESCOc1ccc(C(O[Si](C)(C)C)C2CC(C(O[Si](C)(C)C)c3ccc(OC)cc3)C(=O)OC2=O)cc1
InChIInChI=1S/C27H38O7Si2/c1-30-20-13-9-18(10-14-20)24(33-35(3,4)5)22-17-23(27(29)32-26(22)28)25(34-36(6,7)8)19-11-15-21(31-2)16-12-19/h9-16,22-25H,17H2,1-8H3
InChIKeySZQCEEMYPCAVIF-UHFFFAOYSA-N
XLogP5.90
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.77
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S,4R,5R)-1-[(4-methoxyphenyl)-trimethylsilyloxymethyl]-4-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 101040019
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
methyl 3-(4-methoxyphenyl)-2,2-dimethyl-3-trimethylsilyloxypropanoate
CID 11066876
(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136
3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711
[1-(4-methoxyphenyl)-3-methylbut-3-enoxy]-trimethylsilane
CID 89035107
[1-(4-methoxyphenyl)-2-oxoethyl] methanesulfonate
CID 87719315
2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
CID 4868245
CID 88961149
CID 88961149
dimethyl 2-[(4-methoxyphenyl)-trimethylsilyloxymethyl]cycloprop-2-ene-1,1-dicarboxylate
CID 101449757
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
6-[chloro-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084415

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione?
The IUPAC name of 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione (CID 15164067) is 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione.
What is the SMILES notation for 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione?
The canonical SMILES for 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione is COc1ccc(C(O[Si](C)(C)C)C2CC(C(O[Si](C)(C)C)c3ccc(OC)cc3)C(=O)OC2=O)cc1.
What is the InChIKey of 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione?
The InChIKey is SZQCEEMYPCAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O7Si2/c1-30-20-13-9-18(10-14-20)24(33-35(3,4)5)22-17-23(27(29)32-26(22)28)25(34-36(6,7)8)19-11-15-21(31-2)16-12-19/h9-16,22-25H,17H2,1-8H3.
What are the key properties of 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione?
3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione has a molecular weight of 530.77 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(4-methoxyphenyl)-trimethylsilyloxymethyl]oxane-2,6-dione is sourced from PubChem (CID 15164067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).