CID 164929868

C23H62O9Si9 — CID 164929868

IUPAC—
SMILESCO[Si](CC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](C)(C)OC[Si]C)O[Si](C)(CC[Si](C)(C)O[Si](C)(C)C)O1)(OC)OC
InChIInChI=1S/C23H62O9Si9/c1-24-41(25-2,26-3)22-21-39(15)30-37(12,13)29-38(14,19-17-35(8,9)27-23-33-4)31-40(16,32-39)20-18-36(10,11)28-34(5,6)7/h17-23H2,1-16H3
InChIKeyIKBPLQRCFNZRLM-UHFFFAOYSA-N
MW735.51 g/mol
LogP6.85
Rot. Bonds17

About CID 164929868

CID 164929868 (PubChem CID 164929868) has the molecular formula C23H62O9Si9 and a molecular weight of 735.51 g/mol.

Molecular Properties

Compound NameCID 164929868
PubChem CID164929868
Molecular FormulaC23H62O9Si9
Molecular Weight735.51 g/mol
Exact Mass734.23
IUPAC Name—
SMILESCO[Si](CC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](C)(C)OC[Si]C)O[Si](C)(CC[Si](C)(C)O[Si](C)(C)C)O1)(OC)OC
InChIInChI=1S/C23H62O9Si9/c1-24-41(25-2,26-3)22-21-39(15)30-37(12,13)29-38(14,19-17-35(8,9)27-23-33-4)31-40(16,32-39)20-18-36(10,11)28-34(5,6)7/h17-23H2,1-16H3
InChIKeyIKBPLQRCFNZRLM-UHFFFAOYSA-N
XLogP6.85
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.51
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 164929868?
The IUPAC name of CID 164929868 (CID 164929868) is not available.
What is the SMILES notation for CID 164929868?
The canonical SMILES for CID 164929868 is CO[Si](CC[Si]1(C)O[Si](C)(C)O[Si](C)(CC[Si](C)(C)OC[Si]C)O[Si](C)(CC[Si](C)(C)O[Si](C)(C)C)O1)(OC)OC.
What is the InChIKey of CID 164929868?
The InChIKey is IKBPLQRCFNZRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H62O9Si9/c1-24-41(25-2,26-3)22-21-39(15)30-37(12,13)29-38(14,19-17-35(8,9)27-23-33-4)31-40(16,32-39)20-18-36(10,11)28-34(5,6)7/h17-23H2,1-16H3.
What are the key properties of CID 164929868?
CID 164929868 has a molecular weight of 735.51 g/mol, XLogP of 6.85, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164929868 is sourced from PubChem (CID 164929868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).