CID 11286233

C45H81O12Si7Zr — CID 11286233

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3.[Zr]
InChIInChI=1S/C35H66O12Si7.C10H15.Zr/c36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35;1-6-7(2)9(4)10(5)8(6)3;/h29-38H,1-28H2;1-5H3;
InChIKeyFIJDEPYYKAFLPH-UHFFFAOYSA-N
MW1101.96 g/mol
LogP11.30
Rot. Bonds7

About CID 11286233

CID 11286233 (PubChem CID 11286233) has the molecular formula C45H81O12Si7Zr and a molecular weight of 1101.96 g/mol.

Molecular Properties

Compound NameCID 11286233
PubChem CID11286233
Molecular FormulaC45H81O12Si7Zr
Molecular Weight1101.96 g/mol
Exact Mass1099.32
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3.[Zr]
InChIInChI=1S/C35H66O12Si7.C10H15.Zr/c36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35;1-6-7(2)9(4)10(5)8(6)3;/h29-38H,1-28H2;1-5H3;
InChIKeyFIJDEPYYKAFLPH-UHFFFAOYSA-N
XLogP11.30
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.96
LogP ≤ 511.30
H-Bond Donors ≤ 53
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 11286233?
The IUPAC name of CID 11286233 (CID 11286233) is not available.
What is the SMILES notation for CID 11286233?
The canonical SMILES for CID 11286233 is C[C]1[C](C)[C](C)[C](C)[C]1C.O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3.[Zr].
What is the InChIKey of CID 11286233?
The InChIKey is FIJDEPYYKAFLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66O12Si7.C10H15.Zr/c36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35;1-6-7(2)9(4)10(5)8(6)3;/h29-38H,1-28H2;1-5H3;.
What are the key properties of CID 11286233?
CID 11286233 has a molecular weight of 1101.96 g/mol, XLogP of 11.30, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11286233 is sourced from PubChem (CID 11286233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).