(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene

C12H10O2 — CID 129383948

IUPAC(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
SMILESOO[C@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C12H10O2/c13-14-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2/t11-/m0/s1
InChIKeyTYZJFSFOAXWMJH-NSHDSACASA-N
MW186.21 g/mol
LogP2.93
Rot. Bonds1

About (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene

(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene (PubChem CID 129383948) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
PubChem CID129383948
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
SMILESOO[C@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C12H10O2/c13-14-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2/t11-/m0/s1
InChIKeyTYZJFSFOAXWMJH-NSHDSACASA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.93
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

[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
CID 7018923
1,2-dihydroacenaphthylen-1-yl 2,2-dimethylbutanoate
CID 59476774
2-(1,2-dihydroacenaphthylen-1-yloxy)ethyl-triethylazanium
CID 4245314
(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
CID 67331166
S-[2-(1,2-dihydroacenaphthylen-1-yloxy)propyl] ethanethioate
CID 89342159
[(1R)-1,2-dihydroacenaphthylen-1-yl]methanamine
CID 92976167
11-azatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene
CID 57063162
11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene;pyrene
CID 87844442
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
CID 129404909
1-(2-cyclohexylphenyl)-1,2-dihydroacenaphthylene
CID 174425493
2-(1,2-dihydroacenaphthylen-1-yl)-1H-phenalene
CID 90914506
6-butan-2-ylnaphthalen-2-ol;1,2-dihydroacenaphthylen-1-yl 2,2-dimethylbutanoate;1,2-dimethyl-1,2-dihydroacenaphthylene
CID 158055740

Frequently Asked Questions

What is the IUPAC name of (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene?
The IUPAC name of (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene (CID 129383948) is (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene.
What is the SMILES notation for (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene?
The canonical SMILES for (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene is OO[C@H]1Cc2cccc3cccc1c23.
What is the InChIKey of (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene?
The InChIKey is TYZJFSFOAXWMJH-NSHDSACASA-N. The full InChI is InChI=1S/C12H10O2/c13-14-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2/t11-/m0/s1.
What are the key properties of (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene?
(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene has a molecular weight of 186.21 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-hydroperoxy-1,2-dihydroacenaphthylene is sourced from PubChem (CID 129383948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).