CID 59957069

C25H64O7Si9 — CID 59957069

IUPAC
SMILESC=C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](CCC)(O[Si](C)(C)CC[Si]OC)O[Si](C)(C)CC[Si]OC
InChIInChI=1S/C25H64O7Si9/c1-17-21-41(30-36(7,8)22-19-33-26-3,31-37(9,10)23-20-34-27-4)32-39(13,14)25-24-38(11,12)29-40(15,16)28-35(5,6)18-2/h18H,2,17,19-25H2,1,3-16H3
InChIKeyXDOGBLGBAKCRNK-UHFFFAOYSA-N
MW729.55 g/mol
LogP8.24
Rot. Bonds24

About CID 59957069

CID 59957069 (PubChem CID 59957069) has the molecular formula C25H64O7Si9 and a molecular weight of 729.55 g/mol.

Molecular Properties

Compound NameCID 59957069
PubChem CID59957069
Molecular FormulaC25H64O7Si9
Molecular Weight729.55 g/mol
Exact Mass728.26
IUPAC Name
SMILESC=C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](CCC)(O[Si](C)(C)CC[Si]OC)O[Si](C)(C)CC[Si]OC
InChIInChI=1S/C25H64O7Si9/c1-17-21-41(30-36(7,8)22-19-33-26-3,31-37(9,10)23-20-34-27-4)32-39(13,14)25-24-38(11,12)29-40(15,16)28-35(5,6)18-2/h18H,2,17,19-25H2,1,3-16H3
InChIKeyXDOGBLGBAKCRNK-UHFFFAOYSA-N
XLogP8.24
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms41
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.55
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59957069?
The IUPAC name of CID 59957069 (CID 59957069) is not available.
What is the SMILES notation for CID 59957069?
The canonical SMILES for CID 59957069 is C=C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](CCC)(O[Si](C)(C)CC[Si]OC)O[Si](C)(C)CC[Si]OC.
What is the InChIKey of CID 59957069?
The InChIKey is XDOGBLGBAKCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H64O7Si9/c1-17-21-41(30-36(7,8)22-19-33-26-3,31-37(9,10)23-20-34-27-4)32-39(13,14)25-24-38(11,12)29-40(15,16)28-35(5,6)18-2/h18H,2,17,19-25H2,1,3-16H3.
What are the key properties of CID 59957069?
CID 59957069 has a molecular weight of 729.55 g/mol, XLogP of 8.24, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59957069 is sourced from PubChem (CID 59957069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).