[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone

C30H44O10Si — CID 10461086

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1C(=O)c1c(OCOC)cccc1C1OCCCO1
InChIInChI=1S/C30H44O10Si/c1-30(2,3)41(7,8)40-17-21-15-24(38-19-33-5)27(25(16-21)39-20-34-6)28(31)26-22(29-35-13-10-14-36-29)11-9-12-23(26)37-18-32-4/h9,11-12,15-16,29H,10,13-14,17-20H2,1-8H3
InChIKeyYTAYTFKHVXIAKS-UHFFFAOYSA-N
MW592.76 g/mol
LogP5.82
Rot. Bonds15

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone (PubChem CID 10461086) has the molecular formula C30H44O10Si and a molecular weight of 592.76 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone
PubChem CID10461086
Molecular FormulaC30H44O10Si
Molecular Weight592.76 g/mol
Exact Mass592.27
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone
SMILESCOCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1C(=O)c1c(OCOC)cccc1C1OCCCO1
InChIInChI=1S/C30H44O10Si/c1-30(2,3)41(7,8)40-17-21-15-24(38-19-33-5)27(25(16-21)39-20-34-6)28(31)26-22(29-35-13-10-14-36-29)11-9-12-23(26)37-18-32-4/h9,11-12,15-16,29H,10,13-14,17-20H2,1-8H3
InChIKeyYTAYTFKHVXIAKS-UHFFFAOYSA-N
XLogP5.82
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.76
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone (CID 10461086) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone is COCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1C(=O)c1c(OCOC)cccc1C1OCCCO1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone?
The InChIKey is YTAYTFKHVXIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O10Si/c1-30(2,3)41(7,8)40-17-21-15-24(38-19-33-5)27(25(16-21)39-20-34-6)28(31)26-22(29-35-13-10-14-36-29)11-9-12-23(26)37-18-32-4/h9,11-12,15-16,29H,10,13-14,17-20H2,1-8H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone has a molecular weight of 592.76 g/mol, XLogP of 5.82, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-bis(methoxymethoxy)phenyl]-[2-(1,3-dioxan-2-yl)-6-(methoxymethoxy)phenyl]methanone is sourced from PubChem (CID 10461086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).