CID 136918798

C18H54N2O3Si8 — CID 136918798

IUPAC—
SMILESC[Si](C)(C)O[Si](O[Si](O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H54N2O3Si8/c1-26(2,3)19(27(4,5)6)24(22-30(13,14)15)21-25(23-31(16,17)18)20(28(7,8)9)29(10,11)12/h1-18H3
InChIKeyHASLACOKXPPKBM-UHFFFAOYSA-N
MW571.33 g/mol
LogP6.62
Rot. Bonds12

About CID 136918798

CID 136918798 (PubChem CID 136918798) has the molecular formula C18H54N2O3Si8 and a molecular weight of 571.33 g/mol.

Molecular Properties

Compound NameCID 136918798
PubChem CID136918798
Molecular FormulaC18H54N2O3Si8
Molecular Weight571.33 g/mol
Exact Mass570.23
IUPAC Name—
SMILESC[Si](C)(C)O[Si](O[Si](O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H54N2O3Si8/c1-26(2,3)19(27(4,5)6)24(22-30(13,14)15)21-25(23-31(16,17)18)20(28(7,8)9)29(10,11)12/h1-18H3
InChIKeyHASLACOKXPPKBM-UHFFFAOYSA-N
XLogP6.62
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.33
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136918798?
The IUPAC name of CID 136918798 (CID 136918798) is not available.
What is the SMILES notation for CID 136918798?
The canonical SMILES for CID 136918798 is C[Si](C)(C)O[Si](O[Si](O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of CID 136918798?
The InChIKey is HASLACOKXPPKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H54N2O3Si8/c1-26(2,3)19(27(4,5)6)24(22-30(13,14)15)21-25(23-31(16,17)18)20(28(7,8)9)29(10,11)12/h1-18H3.
What are the key properties of CID 136918798?
CID 136918798 has a molecular weight of 571.33 g/mol, XLogP of 6.62, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136918798 is sourced from PubChem (CID 136918798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).