CID 162782158

C14H23INO5 — CID 162782158

IUPAC—
SMILESCC(I)C(=O)OCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H23INO5/c1-9(15)12(18)20-8-11(17)21-10-6-13(2,3)16(19)14(4,5)7-10/h9-10H,6-8H2,1-5H3
InChIKeyBCPYHRCVXRUOIN-UHFFFAOYSA-N
MW412.24 g/mol
LogP2.26
Rot. Bonds4

About CID 162782158

CID 162782158 (PubChem CID 162782158) has the molecular formula C14H23INO5 and a molecular weight of 412.24 g/mol.

Molecular Properties

Compound NameCID 162782158
PubChem CID162782158
Molecular FormulaC14H23INO5
Molecular Weight412.24 g/mol
Exact Mass412.06
IUPAC Name—
SMILESCC(I)C(=O)OCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H23INO5/c1-9(15)12(18)20-8-11(17)21-10-6-13(2,3)16(19)14(4,5)7-10/h9-10H,6-8H2,1-5H3
InChIKeyBCPYHRCVXRUOIN-UHFFFAOYSA-N
XLogP2.26
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162782158?
The IUPAC name of CID 162782158 (CID 162782158) is not available.
What is the SMILES notation for CID 162782158?
The canonical SMILES for CID 162782158 is CC(I)C(=O)OCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 162782158?
The InChIKey is BCPYHRCVXRUOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23INO5/c1-9(15)12(18)20-8-11(17)21-10-6-13(2,3)16(19)14(4,5)7-10/h9-10H,6-8H2,1-5H3.
What are the key properties of CID 162782158?
CID 162782158 has a molecular weight of 412.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162782158 is sourced from PubChem (CID 162782158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).