(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine

C12H14O2 — CID 11903995

IUPAC(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
SMILESC[C@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1
InChIInChI=1S/C12H14O2/c1-8-13-7-10-6-9-4-2-3-5-11(9)12(10)14-8/h2-5,8,10,12H,6-7H2,1H3/t8-,10-,12+/m0/s1
InChIKeyJENHLSGTOXISDS-PTOFAABTSA-N
MW190.24 g/mol
LogP2.29
Rot. Bonds

About (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine

(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine (PubChem CID 11903995) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
PubChem CID11903995
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
SMILESC[C@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1
InChIInChI=1S/C12H14O2/c1-8-13-7-10-6-9-4-2-3-5-11(9)12(10)14-8/h2-5,8,10,12H,6-7H2,1H3/t8-,10-,12+/m0/s1
InChIKeyJENHLSGTOXISDS-PTOFAABTSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine with MolForge

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Related Compounds

(2S,4R,4aS,9bS)-2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 99128878
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
(4aS,9bS)-N-ethyl-4,4a,5,9b-tetrahydro-1H-indeno[1,2-d][1,3]oxazin-2-imine
CID 135697564
1-(2-chloroethyl)-3-methyl-3,4-dihydro-1H-isochromene
CID 23288862
(1S,6R,14R,19S)-27,28-dioxaheptacyclo[17.7.1.16,14.02,17.04,15.07,12.020,25]octacosa-2(17),3,7,9,11,15,20,22,24-nonaene
CID 139054065
4-fluoro-1-methyl-3,4-dihydro-1H-isochromene
CID 175402558
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1S,3R)-3-methyl-3,4-dihydro-1H-isochromene-1-carbonitrile
CID 125489915
N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide
CID 64985525
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
CID 91488349
3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine
CID 43174689
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
The IUPAC name of (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine (CID 11903995) is (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine.
What is the SMILES notation for (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
The canonical SMILES for (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine is C[C@H]1OC[C@@H]2Cc3ccccc3[C@@H]2O1.
What is the InChIKey of (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
The InChIKey is JENHLSGTOXISDS-PTOFAABTSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-13-7-10-6-9-4-2-3-5-11(9)12(10)14-8/h2-5,8,10,12H,6-7H2,1H3/t8-,10-,12+/m0/s1.
What are the key properties of (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine has a molecular weight of 190.24 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine is sourced from PubChem (CID 11903995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).