[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate

C14H12O2 — CID 7018923

IUPAC[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
SMILESCC(=O)O[C@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C14H12O2/c1-9(15)16-13-8-11-6-2-4-10-5-3-7-12(13)14(10)11/h2-7,13H,8H2,1H3/t13-/m0/s1
InChIKeyUYSIEGCCYVPJLE-ZDUSSCGKSA-N
MW212.25 g/mol
LogP3.00
Rot. Bonds1

About [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate

[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate (PubChem CID 7018923) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate.

Molecular Properties

Compound Name[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
PubChem CID7018923
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate
SMILESCC(=O)O[C@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C14H12O2/c1-9(15)16-13-8-11-6-2-4-10-5-3-7-12(13)14(10)11/h2-7,13H,8H2,1H3/t13-/m0/s1
InChIKeyUYSIEGCCYVPJLE-ZDUSSCGKSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydroacenaphthylen-1-yl 2,2-dimethylbutanoate
CID 59476774
(1S)-1-hydroperoxy-1,2-dihydroacenaphthylene
CID 129383948
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
S-[2-(1,2-dihydroacenaphthylen-1-yloxy)propyl] ethanethioate
CID 89342159
(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
CID 4055527
2-(1,2-dihydroacenaphthylen-1-yloxy)ethyl-triethylazanium
CID 4245314
2,3-dihydro-1H-phenalen-2-yl 2-methylprop-2-enoate
CID 59310285
(5-ethenyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl) acetate
CID 140709226
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
CID 67331166
[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
CID 12616569
(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) acetate
CID 11834856

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate?
The IUPAC name of [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate (CID 7018923) is [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate.
What is the SMILES notation for [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate?
The canonical SMILES for [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate is CC(=O)O[C@H]1Cc2cccc3cccc1c23.
What is the InChIKey of [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate?
The InChIKey is UYSIEGCCYVPJLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12O2/c1-9(15)16-13-8-11-6-2-4-10-5-3-7-12(13)14(10)11/h2-7,13H,8H2,1H3/t13-/m0/s1.
What are the key properties of [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate?
[(1S)-1,2-dihydroacenaphthylen-1-yl] acetate has a molecular weight of 212.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2-dihydroacenaphthylen-1-yl] acetate is sourced from PubChem (CID 7018923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).