CID 59963468

C22H38FO2Si — CID 59963468

IUPAC—
SMILESCCCC/C=C\CC1C(=O)C=C[C@@H]1CCC(O[Si](C)C)C(F)CCCC
InChIInChI=1S/C22H38FO2Si/c1-5-7-9-10-11-12-19-18(14-16-21(19)24)15-17-22(25-26(3)4)20(23)13-8-6-2/h10-11,14,16,18-20,22H,5-9,12-13,15,17H2,1-4H3/b11-10-/t18-,19?,20?,22?/m1/s1
InChIKeyPWELAALAIRRMGT-XQTIEFGSSA-N
MW381.63 g/mol
LogP6.44
Rot. Bonds14

About CID 59963468

CID 59963468 (PubChem CID 59963468) has the molecular formula C22H38FO2Si and a molecular weight of 381.63 g/mol.

Molecular Properties

Compound NameCID 59963468
PubChem CID59963468
Molecular FormulaC22H38FO2Si
Molecular Weight381.63 g/mol
Exact Mass381.26
IUPAC Name—
SMILESCCCC/C=C\CC1C(=O)C=C[C@@H]1CCC(O[Si](C)C)C(F)CCCC
InChIInChI=1S/C22H38FO2Si/c1-5-7-9-10-11-12-19-18(14-16-21(19)24)15-17-22(25-26(3)4)20(23)13-8-6-2/h10-11,14,16,18-20,22H,5-9,12-13,15,17H2,1-4H3/b11-10-/t18-,19?,20?,22?/m1/s1
InChIKeyPWELAALAIRRMGT-XQTIEFGSSA-N
XLogP6.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.63
LogP ≤ 56.44
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59963468?
The IUPAC name of CID 59963468 (CID 59963468) is not available.
What is the SMILES notation for CID 59963468?
The canonical SMILES for CID 59963468 is CCCC/C=C\CC1C(=O)C=C[C@@H]1CCC(O[Si](C)C)C(F)CCCC.
What is the InChIKey of CID 59963468?
The InChIKey is PWELAALAIRRMGT-XQTIEFGSSA-N. The full InChI is InChI=1S/C22H38FO2Si/c1-5-7-9-10-11-12-19-18(14-16-21(19)24)15-17-22(25-26(3)4)20(23)13-8-6-2/h10-11,14,16,18-20,22H,5-9,12-13,15,17H2,1-4H3/b11-10-/t18-,19?,20?,22?/m1/s1.
What are the key properties of CID 59963468?
CID 59963468 has a molecular weight of 381.63 g/mol, XLogP of 6.44, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59963468 is sourced from PubChem (CID 59963468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).