CID 155629602

C17H51O13Si11 — CID 155629602

IUPAC—
SMILESCO[Si]O[Si](O[Si]OC)(O[Si]OC)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C
InChIInChI=1S/C17H51O13Si11/c1-18-31-21-41(22-32-19-2,23-33-20-3)30-40(16,17)29-39(14,15)28-38(12,13)27-37(10,11)26-36(8,9)25-35(6,7)24-34(4)5/h1-17H3
InChIKeyMXUHOCPALZORHF-UHFFFAOYSA-N
MW772.53 g/mol
LogP3.59
Rot. Bonds23

About CID 155629602

CID 155629602 (PubChem CID 155629602) has the molecular formula C17H51O13Si11 and a molecular weight of 772.53 g/mol.

Molecular Properties

Compound NameCID 155629602
PubChem CID155629602
Molecular FormulaC17H51O13Si11
Molecular Weight772.53 g/mol
Exact Mass771.08
IUPAC Name—
SMILESCO[Si]O[Si](O[Si]OC)(O[Si]OC)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C
InChIInChI=1S/C17H51O13Si11/c1-18-31-21-41(22-32-19-2,23-33-20-3)30-40(16,17)29-39(14,15)28-38(12,13)27-37(10,11)26-36(8,9)25-35(6,7)24-34(4)5/h1-17H3
InChIKeyMXUHOCPALZORHF-UHFFFAOYSA-N
XLogP3.59
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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 155629602?
The IUPAC name of CID 155629602 (CID 155629602) is not available.
What is the SMILES notation for CID 155629602?
The canonical SMILES for CID 155629602 is CO[Si]O[Si](O[Si]OC)(O[Si]OC)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C.
What is the InChIKey of CID 155629602?
The InChIKey is MXUHOCPALZORHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H51O13Si11/c1-18-31-21-41(22-32-19-2,23-33-20-3)30-40(16,17)29-39(14,15)28-38(12,13)27-37(10,11)26-36(8,9)25-35(6,7)24-34(4)5/h1-17H3.
What are the key properties of CID 155629602?
CID 155629602 has a molecular weight of 772.53 g/mol, XLogP of 3.59, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155629602 is sourced from PubChem (CID 155629602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).