CID 162782070

C16H27INO5 — CID 162782070

IUPAC—
SMILESCC(I)C(=O)OCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C16H27INO5/c1-11(17)14(20)22-8-6-7-13(19)23-12-9-15(2,3)18(21)16(4,5)10-12/h11-12H,6-10H2,1-5H3
InChIKeyGBILPFCDWYKNIT-UHFFFAOYSA-N
MW440.30 g/mol
LogP3.04
Rot. Bonds6

About CID 162782070

CID 162782070 (PubChem CID 162782070) has the molecular formula C16H27INO5 and a molecular weight of 440.30 g/mol.

Molecular Properties

Compound NameCID 162782070
PubChem CID162782070
Molecular FormulaC16H27INO5
Molecular Weight440.30 g/mol
Exact Mass440.09
IUPAC Name—
SMILESCC(I)C(=O)OCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C16H27INO5/c1-11(17)14(20)22-8-6-7-13(19)23-12-9-15(2,3)18(21)16(4,5)10-12/h11-12H,6-10H2,1-5H3
InChIKeyGBILPFCDWYKNIT-UHFFFAOYSA-N
XLogP3.04
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 162782158
CID 162782158
CID 101128218
CID 101128218
CID 140704439
CID 140704439
CID 102455717
CID 102455717
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
CID 101190614
CID 101190614
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
CID 58663347
CID 58663347
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961

Frequently Asked Questions

What is the IUPAC name of CID 162782070?
The IUPAC name of CID 162782070 (CID 162782070) is not available.
What is the SMILES notation for CID 162782070?
The canonical SMILES for CID 162782070 is CC(I)C(=O)OCCCC(=O)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 162782070?
The InChIKey is GBILPFCDWYKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27INO5/c1-11(17)14(20)22-8-6-7-13(19)23-12-9-15(2,3)18(21)16(4,5)10-12/h11-12H,6-10H2,1-5H3.
What are the key properties of CID 162782070?
CID 162782070 has a molecular weight of 440.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162782070 is sourced from PubChem (CID 162782070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).