CID 167618778

C42H82O12PtSi13 — CID 167618778

IUPAC—
SMILESC=C[Si](C)(C)O[Si](C)(C)C=C.C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O1.C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1.C=C[Si]1(C)O[Si]2(C)[C-]=CC/C=[C-]/[Si](C)(O2)O[Si](C)(C=C)O1.[Pt+2]
InChIInChI=1S/C13H22O4Si4.C12H24O4Si4.C9H18O3Si3.C8H18OSi2.Pt/c1-7-18(3)14-19(4,8-2)16-21(6)13-11-9-10-12-20(5,15-18)17-21;1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17;1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13;1-7-10(3,4)9-11(5,6)8-2;/h7-8,10-11H,1-2,9H2,3-6H3;9-12H,1-4H2,5-8H3;7-9H,1-3H2,4-6H3;7-8H,1-2H2,3-6H3;/q-2;;;;+2
InChIKeyFJDIMUNVJYUKQP-UHFFFAOYSA-N
MW1339.30 g/mol
LogP11.56
Rot. Bonds13

About CID 167618778

CID 167618778 (PubChem CID 167618778) has the molecular formula C42H82O12PtSi13 and a molecular weight of 1339.30 g/mol.

Molecular Properties

Compound NameCID 167618778
PubChem CID167618778
Molecular FormulaC42H82O12PtSi13
Molecular Weight1339.30 g/mol
Exact Mass1337.25
IUPAC Name—
SMILESC=C[Si](C)(C)O[Si](C)(C)C=C.C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O1.C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1.C=C[Si]1(C)O[Si]2(C)[C-]=CC/C=[C-]/[Si](C)(O2)O[Si](C)(C=C)O1.[Pt+2]
InChIInChI=1S/C13H22O4Si4.C12H24O4Si4.C9H18O3Si3.C8H18OSi2.Pt/c1-7-18(3)14-19(4,8-2)16-21(6)13-11-9-10-12-20(5,15-18)17-21;1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17;1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13;1-7-10(3,4)9-11(5,6)8-2;/h7-8,10-11H,1-2,9H2,3-6H3;9-12H,1-4H2,5-8H3;7-9H,1-3H2,4-6H3;7-8H,1-2H2,3-6H3;/q-2;;;;+2
InChIKeyFJDIMUNVJYUKQP-UHFFFAOYSA-N
XLogP11.56
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001339.30
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 167618778?
The IUPAC name of CID 167618778 (CID 167618778) is not available.
What is the SMILES notation for CID 167618778?
The canonical SMILES for CID 167618778 is C=C[Si](C)(C)O[Si](C)(C)C=C.C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O1.C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1.C=C[Si]1(C)O[Si]2(C)[C-]=CC/C=[C-]/[Si](C)(O2)O[Si](C)(C=C)O1.[Pt+2].
What is the InChIKey of CID 167618778?
The InChIKey is FJDIMUNVJYUKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si4.C12H24O4Si4.C9H18O3Si3.C8H18OSi2.Pt/c1-7-18(3)14-19(4,8-2)16-21(6)13-11-9-10-12-20(5,15-18)17-21;1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17;1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13;1-7-10(3,4)9-11(5,6)8-2;/h7-8,10-11H,1-2,9H2,3-6H3;9-12H,1-4H2,5-8H3;7-9H,1-3H2,4-6H3;7-8H,1-2H2,3-6H3;/q-2;;;;+2.
What are the key properties of CID 167618778?
CID 167618778 has a molecular weight of 1339.30 g/mol, XLogP of 11.56, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167618778 is sourced from PubChem (CID 167618778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).