CID 162782148

C13H23INO3 — CID 162782148

IUPAC—
SMILESCC1(C)CC(OC(=O)CCCCI)C(C)(C)N1[O]
InChIInChI=1S/C13H23INO3/c1-12(2)9-10(13(3,4)15(12)17)18-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3
InChIKeyQGPDGFCJKMEYFY-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.11
Rot. Bonds5

About CID 162782148

CID 162782148 (PubChem CID 162782148) has the molecular formula C13H23INO3 and a molecular weight of 368.24 g/mol.

Molecular Properties

Compound NameCID 162782148
PubChem CID162782148
Molecular FormulaC13H23INO3
Molecular Weight368.24 g/mol
Exact Mass368.07
IUPAC Name—
SMILESCC1(C)CC(OC(=O)CCCCI)C(C)(C)N1[O]
InChIInChI=1S/C13H23INO3/c1-12(2)9-10(13(3,4)15(12)17)18-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3
InChIKeyQGPDGFCJKMEYFY-UHFFFAOYSA-N
XLogP3.11
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of CID 162782148?
The IUPAC name of CID 162782148 (CID 162782148) is not available.
What is the SMILES notation for CID 162782148?
The canonical SMILES for CID 162782148 is CC1(C)CC(OC(=O)CCCCI)C(C)(C)N1[O].
What is the InChIKey of CID 162782148?
The InChIKey is QGPDGFCJKMEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23INO3/c1-12(2)9-10(13(3,4)15(12)17)18-11(16)7-5-6-8-14/h10H,5-9H2,1-4H3.
What are the key properties of CID 162782148?
CID 162782148 has a molecular weight of 368.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162782148 is sourced from PubChem (CID 162782148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).