CID 67857937

C27H49O2Si — CID 67857937

IUPAC—
SMILESCCCCCCCCCCCCCOCc1cccc(C(O[Si](C)C)C(C)(C)C)c1
InChIInChI=1S/C27H49O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-21-28-23-24-19-18-20-25(22-24)26(27(2,3)4)29-30(5)6/h18-20,22,26H,7-17,21,23H2,1-6H3
InChIKeyAXAJKFBQWGBVIT-UHFFFAOYSA-N
MW433.77 g/mol
LogP8.87
Rot. Bonds17

About CID 67857937

CID 67857937 (PubChem CID 67857937) has the molecular formula C27H49O2Si and a molecular weight of 433.77 g/mol.

Molecular Properties

Compound NameCID 67857937
PubChem CID67857937
Molecular FormulaC27H49O2Si
Molecular Weight433.77 g/mol
Exact Mass433.35
IUPAC Name—
SMILESCCCCCCCCCCCCCOCc1cccc(C(O[Si](C)C)C(C)(C)C)c1
InChIInChI=1S/C27H49O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-21-28-23-24-19-18-20-25(22-24)26(27(2,3)4)29-30(5)6/h18-20,22,26H,7-17,21,23H2,1-6H3
InChIKeyAXAJKFBQWGBVIT-UHFFFAOYSA-N
XLogP8.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.77
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 67857937?
The IUPAC name of CID 67857937 (CID 67857937) is not available.
What is the SMILES notation for CID 67857937?
The canonical SMILES for CID 67857937 is CCCCCCCCCCCCCOCc1cccc(C(O[Si](C)C)C(C)(C)C)c1.
What is the InChIKey of CID 67857937?
The InChIKey is AXAJKFBQWGBVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-21-28-23-24-19-18-20-25(22-24)26(27(2,3)4)29-30(5)6/h18-20,22,26H,7-17,21,23H2,1-6H3.
What are the key properties of CID 67857937?
CID 67857937 has a molecular weight of 433.77 g/mol, XLogP of 8.87, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67857937 is sourced from PubChem (CID 67857937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).