CID 59938636

C19H49O6Si6 — CID 59938636

IUPAC—
SMILESCC(=O)OCCC[Si](C)(C)O[Si](C)CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H49O6Si6/c1-19(20)21-15-14-17-29(9,10)22-26(2)16-18-31(13,24-28(6,7)8)25-30(11,12)23-27(3,4)5/h14-18H2,1-13H3
InChIKeyMZRDBIVUJUEWPB-UHFFFAOYSA-N
MW542.11 g/mol
LogP6.28
Rot. Bonds15

About CID 59938636

CID 59938636 (PubChem CID 59938636) has the molecular formula C19H49O6Si6 and a molecular weight of 542.11 g/mol.

Molecular Properties

Compound NameCID 59938636
PubChem CID59938636
Molecular FormulaC19H49O6Si6
Molecular Weight542.11 g/mol
Exact Mass541.21
IUPAC Name—
SMILESCC(=O)OCCC[Si](C)(C)O[Si](C)CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C19H49O6Si6/c1-19(20)21-15-14-17-29(9,10)22-26(2)16-18-31(13,24-28(6,7)8)25-30(11,12)23-27(3,4)5/h14-18H2,1-13H3
InChIKeyMZRDBIVUJUEWPB-UHFFFAOYSA-N
XLogP6.28
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.11
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 59938636?
The IUPAC name of CID 59938636 (CID 59938636) is not available.
What is the SMILES notation for CID 59938636?
The canonical SMILES for CID 59938636 is CC(=O)OCCC[Si](C)(C)O[Si](C)CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of CID 59938636?
The InChIKey is MZRDBIVUJUEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H49O6Si6/c1-19(20)21-15-14-17-29(9,10)22-26(2)16-18-31(13,24-28(6,7)8)25-30(11,12)23-27(3,4)5/h14-18H2,1-13H3.
What are the key properties of CID 59938636?
CID 59938636 has a molecular weight of 542.11 g/mol, XLogP of 6.28, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59938636 is sourced from PubChem (CID 59938636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).