CID 23051838

C20H36NO3Si3 — CID 23051838

IUPAC—
SMILESC=C(C)C(=O)N(c1ccccc1)C(CCC)[Si](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H36NO3Si3/c1-10-14-19(25(23-26(4,5)6)24-27(7,8)9)21(20(22)17(2)3)18-15-12-11-13-16-18/h11-13,15-16,19H,2,10,14H2,1,3-9H3
InChIKeyNNHXUHXAKBPXCI-UHFFFAOYSA-N
MW422.77 g/mol
LogP5.49
Rot. Bonds10

About CID 23051838

CID 23051838 (PubChem CID 23051838) has the molecular formula C20H36NO3Si3 and a molecular weight of 422.77 g/mol.

Molecular Properties

Compound NameCID 23051838
PubChem CID23051838
Molecular FormulaC20H36NO3Si3
Molecular Weight422.77 g/mol
Exact Mass422.20
IUPAC Name—
SMILESC=C(C)C(=O)N(c1ccccc1)C(CCC)[Si](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H36NO3Si3/c1-10-14-19(25(23-26(4,5)6)24-27(7,8)9)21(20(22)17(2)3)18-15-12-11-13-16-18/h11-13,15-16,19H,2,10,14H2,1,3-9H3
InChIKeyNNHXUHXAKBPXCI-UHFFFAOYSA-N
XLogP5.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.77
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23051838?
The IUPAC name of CID 23051838 (CID 23051838) is not available.
What is the SMILES notation for CID 23051838?
The canonical SMILES for CID 23051838 is C=C(C)C(=O)N(c1ccccc1)C(CCC)[Si](O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of CID 23051838?
The InChIKey is NNHXUHXAKBPXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36NO3Si3/c1-10-14-19(25(23-26(4,5)6)24-27(7,8)9)21(20(22)17(2)3)18-15-12-11-13-16-18/h11-13,15-16,19H,2,10,14H2,1,3-9H3.
What are the key properties of CID 23051838?
CID 23051838 has a molecular weight of 422.77 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23051838 is sourced from PubChem (CID 23051838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).