CID 86743160

C18H28N3O5Si — CID 86743160

IUPAC—
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C
InChIInChI=1S/C18H28N3O5Si/c1-7-8-25-17(24)15(21-19)13(22)9-12-14(16(23)20-12)11(18(2,3)4)10-26-27(5)6/h7,11-12,14H,1,8-10H2,2-6H3,(H,20,23)/t11-,12-,14+/m1/s1
InChIKeySKNBITWCYGUNAF-BZPMIXESSA-N
MW394.52 g/mol
LogP1.39
Rot. Bonds10

About CID 86743160

CID 86743160 (PubChem CID 86743160) has the molecular formula C18H28N3O5Si and a molecular weight of 394.52 g/mol.

Molecular Properties

Compound NameCID 86743160
PubChem CID86743160
Molecular FormulaC18H28N3O5Si
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC Name—
SMILESC=CCOC(=O)C(=[N+]=[N-])C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C
InChIInChI=1S/C18H28N3O5Si/c1-7-8-25-17(24)15(21-19)13(22)9-12-14(16(23)20-12)11(18(2,3)4)10-26-27(5)6/h7,11-12,14H,1,8-10H2,2-6H3,(H,20,23)/t11-,12-,14+/m1/s1
InChIKeySKNBITWCYGUNAF-BZPMIXESSA-N
XLogP1.39
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 86743160?
The IUPAC name of CID 86743160 (CID 86743160) is not available.
What is the SMILES notation for CID 86743160?
The canonical SMILES for CID 86743160 is C=CCOC(=O)C(=[N+]=[N-])C(=O)C[C@H]1NC(=O)[C@H]1[C@@H](CO[Si](C)C)C(C)(C)C.
What is the InChIKey of CID 86743160?
The InChIKey is SKNBITWCYGUNAF-BZPMIXESSA-N. The full InChI is InChI=1S/C18H28N3O5Si/c1-7-8-25-17(24)15(21-19)13(22)9-12-14(16(23)20-12)11(18(2,3)4)10-26-27(5)6/h7,11-12,14H,1,8-10H2,2-6H3,(H,20,23)/t11-,12-,14+/m1/s1.
What are the key properties of CID 86743160?
CID 86743160 has a molecular weight of 394.52 g/mol, XLogP of 1.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86743160 is sourced from PubChem (CID 86743160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).