1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene

C12H14O2 — CID 144847978

IUPAC1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene
SMILESCC1=C(C)C(COO)c2ccccc21
InChIInChI=1S/C12H14O2/c1-8-9(2)12(7-14-13)11-6-4-3-5-10(8)11/h3-6,12-13H,7H2,1-2H3
InChIKeyWHTQQSBAJPGZMV-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.07
Rot. Bonds2

About 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene

1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene (PubChem CID 144847978) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene.

Molecular Properties

Compound Name1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene
PubChem CID144847978
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene
SMILESCC1=C(C)C(COO)c2ccccc21
InChIInChI=1S/C12H14O2/c1-8-9(2)12(7-14-13)11-6-4-3-5-10(8)11/h3-6,12-13H,7H2,1-2H3
InChIKeyWHTQQSBAJPGZMV-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethane;propane;1,2,3-trimethyl-1H-indene
CID 142448762
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Frequently Asked Questions

What is the IUPAC name of 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene?
The IUPAC name of 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene (CID 144847978) is 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene.
What is the SMILES notation for 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene?
The canonical SMILES for 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene is CC1=C(C)C(COO)c2ccccc21.
What is the InChIKey of 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene?
The InChIKey is WHTQQSBAJPGZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-9(2)12(7-14-13)11-6-4-3-5-10(8)11/h3-6,12-13H,7H2,1-2H3.
What are the key properties of 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene?
1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene has a molecular weight of 190.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroperoxymethyl)-2,3-dimethyl-1H-indene is sourced from PubChem (CID 144847978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).