1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane

C23H38O6Si — CID 11640705

IUPAC1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCOCOc1cc(OCOC)c(C(C)O[Si](C)(C)C(C)(C)C)c2c1C=CC(C)(C)O2
InChIInChI=1S/C23H38O6Si/c1-16(29-30(9,10)22(2,3)4)20-19(27-15-25-8)13-18(26-14-24-7)17-11-12-23(5,6)28-21(17)20/h11-13,16H,14-15H2,1-10H3
InChIKeyKSKPRHHYDZKNNC-UHFFFAOYSA-N
MW438.64 g/mol
LogP5.92
Rot. Bonds9

About 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane

1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 11640705) has the molecular formula C23H38O6Si and a molecular weight of 438.64 g/mol. Its IUPAC name is 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID11640705
Molecular FormulaC23H38O6Si
Molecular Weight438.64 g/mol
Exact Mass438.24
IUPAC Name1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCOCOc1cc(OCOC)c(C(C)O[Si](C)(C)C(C)(C)C)c2c1C=CC(C)(C)O2
InChIInChI=1S/C23H38O6Si/c1-16(29-30(9,10)22(2,3)4)20-19(27-15-25-8)13-18(26-14-24-7)17-11-12-23(5,6)28-21(17)20/h11-13,16H,14-15H2,1-10H3
InChIKeyKSKPRHHYDZKNNC-UHFFFAOYSA-N
XLogP5.92
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.64
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane (CID 11640705) is 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane is COCOc1cc(OCOC)c(C(C)O[Si](C)(C)C(C)(C)C)c2c1C=CC(C)(C)O2.
What is the InChIKey of 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is KSKPRHHYDZKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O6Si/c1-16(29-30(9,10)22(2,3)4)20-19(27-15-25-8)13-18(26-14-24-7)17-11-12-23(5,6)28-21(17)20/h11-13,16H,14-15H2,1-10H3.
What are the key properties of 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane?
1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 438.64 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-bis(methoxymethoxy)-2,2-dimethylchromen-8-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11640705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).