CID 58121278

C10H30O12Si8 — CID 58121278

IUPAC—
SMILESCO[Si]1(C)O[Si](C)O[Si]2(C)O[Si](C)O[Si]3(C)O[Si](C)(O1)O[Si](C)(OC)O[Si@@](C)(O2)O3
InChIInChI=1S/C10H30O12Si8/c1-11-25(5)13-23(3)14-27(7)15-24(4)16-28(8)21-29(9,17-25)18-26(6,12-2)19-30(10,20-27)22-28/h1-10H3/t25?,26?,27?,28?,29?,30-/m0/s1
InChIKeyXLDPRCUPNYEMLX-PFKQAVRKSA-N
MW567.03 g/mol
LogP1.13
Rot. Bonds2

About CID 58121278

CID 58121278 (PubChem CID 58121278) has the molecular formula C10H30O12Si8 and a molecular weight of 567.03 g/mol.

Molecular Properties

Compound NameCID 58121278
PubChem CID58121278
Molecular FormulaC10H30O12Si8
Molecular Weight567.03 g/mol
Exact Mass565.99
IUPAC Name—
SMILESCO[Si]1(C)O[Si](C)O[Si]2(C)O[Si](C)O[Si]3(C)O[Si](C)(O1)O[Si](C)(OC)O[Si@@](C)(O2)O3
InChIInChI=1S/C10H30O12Si8/c1-11-25(5)13-23(3)14-27(7)15-24(4)16-28(8)21-29(9,17-25)18-26(6,12-2)19-30(10,20-27)22-28/h1-10H3/t25?,26?,27?,28?,29?,30-/m0/s1
InChIKeyXLDPRCUPNYEMLX-PFKQAVRKSA-N
XLogP1.13
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.03
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 58121278?
The IUPAC name of CID 58121278 (CID 58121278) is not available.
What is the SMILES notation for CID 58121278?
The canonical SMILES for CID 58121278 is CO[Si]1(C)O[Si](C)O[Si]2(C)O[Si](C)O[Si]3(C)O[Si](C)(O1)O[Si](C)(OC)O[Si@@](C)(O2)O3.
What is the InChIKey of CID 58121278?
The InChIKey is XLDPRCUPNYEMLX-PFKQAVRKSA-N. The full InChI is InChI=1S/C10H30O12Si8/c1-11-25(5)13-23(3)14-27(7)15-24(4)16-28(8)21-29(9,17-25)18-26(6,12-2)19-30(10,20-27)22-28/h1-10H3/t25?,26?,27?,28?,29?,30-/m0/s1.
What are the key properties of CID 58121278?
CID 58121278 has a molecular weight of 567.03 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58121278 is sourced from PubChem (CID 58121278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).