CID 59963392

C23H44FO2Si — CID 59963392

IUPAC—
SMILESCCCC/C=C\CC1C(O)CC(C)[C@@H]1CCC(O[Si](C)C)C(F)CCCC
InChIInChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-23,25H,6-10,13-17H2,1-5H3/b12-11-/t18?,19-,20?,21?,22?,23?/m0/s1
InChIKeyUOARZNIOYWGWJY-KGTFJTLHSA-N
MW399.69 g/mol
LogP6.70
Rot. Bonds14

About CID 59963392

CID 59963392 (PubChem CID 59963392) has the molecular formula C23H44FO2Si and a molecular weight of 399.69 g/mol.

Molecular Properties

Compound NameCID 59963392
PubChem CID59963392
Molecular FormulaC23H44FO2Si
Molecular Weight399.69 g/mol
Exact Mass399.31
IUPAC Name—
SMILESCCCC/C=C\CC1C(O)CC(C)[C@@H]1CCC(O[Si](C)C)C(F)CCCC
InChIInChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-23,25H,6-10,13-17H2,1-5H3/b12-11-/t18?,19-,20?,21?,22?,23?/m0/s1
InChIKeyUOARZNIOYWGWJY-KGTFJTLHSA-N
XLogP6.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.69
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59963392?
The IUPAC name of CID 59963392 (CID 59963392) is not available.
What is the SMILES notation for CID 59963392?
The canonical SMILES for CID 59963392 is CCCC/C=C\CC1C(O)CC(C)[C@@H]1CCC(O[Si](C)C)C(F)CCCC.
What is the InChIKey of CID 59963392?
The InChIKey is UOARZNIOYWGWJY-KGTFJTLHSA-N. The full InChI is InChI=1S/C23H44FO2Si/c1-6-8-10-11-12-13-20-19(18(3)17-22(20)25)15-16-23(26-27(4)5)21(24)14-9-7-2/h11-12,18-23,25H,6-10,13-17H2,1-5H3/b12-11-/t18?,19-,20?,21?,22?,23?/m0/s1.
What are the key properties of CID 59963392?
CID 59963392 has a molecular weight of 399.69 g/mol, XLogP of 6.70, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59963392 is sourced from PubChem (CID 59963392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).