(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one

C12H12O3 — CID 134967336

IUPAC(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one
SMILESC[C@H]1CC(=O)c2cc3c(cc2C1)OCO3
InChIInChI=1S/C12H12O3/c1-7-2-8-4-11-12(15-6-14-11)5-9(8)10(13)3-7/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeySFKPLTUGNJAACZ-SSDOTTSWSA-N
MW204.22 g/mol
LogP2.18
Rot. Bonds

About (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one

(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one (PubChem CID 134967336) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one.

Molecular Properties

Compound Name(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one
PubChem CID134967336
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one
SMILESC[C@H]1CC(=O)c2cc3c(cc2C1)OCO3
InChIInChI=1S/C12H12O3/c1-7-2-8-4-11-12(15-6-14-11)5-9(8)10(13)3-7/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeySFKPLTUGNJAACZ-SSDOTTSWSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 10944996
N-[(6R)-8-oxo-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-6-yl]benzamide
CID 132582403
cyclopenta[f][1,3]benzodioxole-5,7-dione
CID 11127061
(5aS,8aR)-5-propan-2-ylidene-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 71220166
6-methyl-8,9-dihydrothiepino[4,5-f][1,3]benzodioxol-5-one
CID 142631341
6,8,8a,9-tetrahydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-one
CID 154326263
7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 84618710
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
4,6-dioxa-12-thia-10-azatetracyclo[7.6.0.03,7.010,13]pentadeca-1,3(7),8-trien-15-one
CID 169153251
(6R,8S)-8-methyl-7-oxo-5,6,8,9-tetrahydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylic acid
CID 154163930
6-methyl-2-trimethylsilyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 117070686
(6S)-6-(1,3-benzodioxol-5-yl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 96544534

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one?
The IUPAC name of (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one (CID 134967336) is (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one.
What is the SMILES notation for (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one?
The canonical SMILES for (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one is C[C@H]1CC(=O)c2cc3c(cc2C1)OCO3.
What is the InChIKey of (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one?
The InChIKey is SFKPLTUGNJAACZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-2-8-4-11-12(15-6-14-11)5-9(8)10(13)3-7/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one?
(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one has a molecular weight of 204.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one is sourced from PubChem (CID 134967336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).