CID 172634816

C14H42O6Si7 — CID 172634816

IUPAC
SMILESC[Si](C)(C)O[Si](C)(O[Si]O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H42O6Si7/c1-22(2,3)17-26(13,18-23(4,5)6)15-21-16-27(14,19-24(7,8)9)20-25(10,11)12/h1-14H3
InChIKeyOPPBCHNZPCTINF-UHFFFAOYSA-N
MW503.09 g/mol
LogP5.10
Rot. Bonds12

About CID 172634816

CID 172634816 (PubChem CID 172634816) has the molecular formula C14H42O6Si7 and a molecular weight of 503.09 g/mol.

Molecular Properties

Compound NameCID 172634816
PubChem CID172634816
Molecular FormulaC14H42O6Si7
Molecular Weight503.09 g/mol
Exact Mass502.14
IUPAC Name
SMILESC[Si](C)(C)O[Si](C)(O[Si]O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H42O6Si7/c1-22(2,3)17-26(13,18-23(4,5)6)15-21-16-27(14,19-24(7,8)9)20-25(10,11)12/h1-14H3
InChIKeyOPPBCHNZPCTINF-UHFFFAOYSA-N
XLogP5.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.09
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 172634816?
The IUPAC name of CID 172634816 (CID 172634816) is not available.
What is the SMILES notation for CID 172634816?
The canonical SMILES for CID 172634816 is C[Si](C)(C)O[Si](C)(O[Si]O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of CID 172634816?
The InChIKey is OPPBCHNZPCTINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H42O6Si7/c1-22(2,3)17-26(13,18-23(4,5)6)15-21-16-27(14,19-24(7,8)9)20-25(10,11)12/h1-14H3.
What are the key properties of CID 172634816?
CID 172634816 has a molecular weight of 503.09 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172634816 is sourced from PubChem (CID 172634816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).