CID 132534450

C11H14IO2 — CID 132534450

IUPAC—
SMILESCC(C)(C)C(=O)O[I]c1ccccc1
InChIInChI=1S/C11H14IO2/c1-11(2,3)10(13)14-12-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyPTEHAKBGKAKZGD-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.33
Rot. Bonds2

About CID 132534450

CID 132534450 (PubChem CID 132534450) has the molecular formula C11H14IO2 and a molecular weight of 305.13 g/mol.

Molecular Properties

Compound NameCID 132534450
PubChem CID132534450
Molecular FormulaC11H14IO2
Molecular Weight305.13 g/mol
Exact Mass305.00
IUPAC Name—
SMILESCC(C)(C)C(=O)O[I]c1ccccc1
InChIInChI=1S/C11H14IO2/c1-11(2,3)10(13)14-12-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyPTEHAKBGKAKZGD-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
diphenylphosphinoselenoyl 2,2-dimethylpropanoate
CID 102161033
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
[diphenylphosphoryl(methylsulfonyl)amino] 2,2-dimethylpropanoate
CID 174746067
[2-(2,2-dimethylpropanoyloxy)phenyl] benzoate
CID 2320209
methyl 2,2-dimethylpropanoate;styrene
CID 144999518
phenyl 2,2,4-trimethyl-3-oxopentanoate
CID 11310865
1-phenylsulfanylethyl 2,2-dimethylpropanoate
CID 14338626
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
[(1R)-2-chloro-2-oxo-1-phenylethyl] 2,2-dimethylpropanoate
CID 86649875
(4-phenylanilino) 2,2-dimethylpropanoate
CID 15049499
2,6-bis(2,2-dimethylpropanoyloxy)benzoic acid
CID 67574318

Frequently Asked Questions

What is the IUPAC name of CID 132534450?
The IUPAC name of CID 132534450 (CID 132534450) is not available.
What is the SMILES notation for CID 132534450?
The canonical SMILES for CID 132534450 is CC(C)(C)C(=O)O[I]c1ccccc1.
What is the InChIKey of CID 132534450?
The InChIKey is PTEHAKBGKAKZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IO2/c1-11(2,3)10(13)14-12-9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of CID 132534450?
CID 132534450 has a molecular weight of 305.13 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132534450 is sourced from PubChem (CID 132534450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).