CID 59963411

C22H43FO3PSi — CID 59963411

IUPAC—
SMILESCCCC/C=C\CC1C(O)CC(OP)[C@@H]1CCC(O[Si](C)C)C(F)CCCC
InChIInChI=1S/C22H43FO3PSi/c1-5-7-9-10-11-12-17-18(22(25-27)16-20(17)24)14-15-21(26-28(3)4)19(23)13-8-6-2/h10-11,17-22,24H,5-9,12-16,27H2,1-4H3/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1
InChIKeyZSVZUROJIJMKMP-CYXGNIFXSA-N
MW433.64 g/mol
LogP6.24
Rot. Bonds15

About CID 59963411

CID 59963411 (PubChem CID 59963411) has the molecular formula C22H43FO3PSi and a molecular weight of 433.64 g/mol.

Molecular Properties

Compound NameCID 59963411
PubChem CID59963411
Molecular FormulaC22H43FO3PSi
Molecular Weight433.64 g/mol
Exact Mass433.27
IUPAC Name—
SMILESCCCC/C=C\CC1C(O)CC(OP)[C@@H]1CCC(O[Si](C)C)C(F)CCCC
InChIInChI=1S/C22H43FO3PSi/c1-5-7-9-10-11-12-17-18(22(25-27)16-20(17)24)14-15-21(26-28(3)4)19(23)13-8-6-2/h10-11,17-22,24H,5-9,12-16,27H2,1-4H3/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1
InChIKeyZSVZUROJIJMKMP-CYXGNIFXSA-N
XLogP6.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59963411?
The IUPAC name of CID 59963411 (CID 59963411) is not available.
What is the SMILES notation for CID 59963411?
The canonical SMILES for CID 59963411 is CCCC/C=C\CC1C(O)CC(OP)[C@@H]1CCC(O[Si](C)C)C(F)CCCC.
What is the InChIKey of CID 59963411?
The InChIKey is ZSVZUROJIJMKMP-CYXGNIFXSA-N. The full InChI is InChI=1S/C22H43FO3PSi/c1-5-7-9-10-11-12-17-18(22(25-27)16-20(17)24)14-15-21(26-28(3)4)19(23)13-8-6-2/h10-11,17-22,24H,5-9,12-16,27H2,1-4H3/b11-10-/t17?,18-,19?,20?,21?,22?/m1/s1.
What are the key properties of CID 59963411?
CID 59963411 has a molecular weight of 433.64 g/mol, XLogP of 6.24, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59963411 is sourced from PubChem (CID 59963411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).