CID 177155929

C11H16IO — CID 177155929

IUPAC—
SMILESCCCC[I]Oc1ccc(C)cc1
InChIInChI=1S/C11H16IO/c1-3-4-9-12-13-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyIIMIZCAWJWZVIJ-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.06
Rot. Bonds5

About CID 177155929

CID 177155929 (PubChem CID 177155929) has the molecular formula C11H16IO and a molecular weight of 291.15 g/mol.

Molecular Properties

Compound NameCID 177155929
PubChem CID177155929
Molecular FormulaC11H16IO
Molecular Weight291.15 g/mol
Exact Mass291.02
IUPAC Name—
SMILESCCCC[I]Oc1ccc(C)cc1
InChIInChI=1S/C11H16IO/c1-3-4-9-12-13-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyIIMIZCAWJWZVIJ-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 177155929?
The IUPAC name of CID 177155929 (CID 177155929) is not available.
What is the SMILES notation for CID 177155929?
The canonical SMILES for CID 177155929 is CCCC[I]Oc1ccc(C)cc1.
What is the InChIKey of CID 177155929?
The InChIKey is IIMIZCAWJWZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IO/c1-3-4-9-12-13-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of CID 177155929?
CID 177155929 has a molecular weight of 291.15 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177155929 is sourced from PubChem (CID 177155929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).