ethane;5-methyl-1,4-benzodioxine

C13H20O2 — CID 54069523

IUPACethane;5-methyl-1,4-benzodioxine
SMILESCC.CC.Cc1cccc2c1OC=CO2
InChIInChI=1S/C9H8O2.2C2H6/c1-7-3-2-4-8-9(7)11-6-5-10-8;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyMFKLSOUKPHWDDU-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.29
Rot. Bonds

About ethane;5-methyl-1,4-benzodioxine

ethane;5-methyl-1,4-benzodioxine (PubChem CID 54069523) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;5-methyl-1,4-benzodioxine.

Molecular Properties

Compound Nameethane;5-methyl-1,4-benzodioxine
PubChem CID54069523
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethane;5-methyl-1,4-benzodioxine
SMILESCC.CC.Cc1cccc2c1OC=CO2
InChIInChI=1S/C9H8O2.2C2H6/c1-7-3-2-4-8-9(7)11-6-5-10-8;2*1-2/h2-6H,1H3;2*1-2H3
InChIKeyMFKLSOUKPHWDDU-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4-methyl-1,3-benzodioxol-2-yl)phosphane
CID 162737924
CID 71334617
CID 71334617
4-(2-methylphenyl)-1,3-benzodioxole
CID 22344656
2-chloro-2,3,3-trifluoro-5-methyl-1,4-benzodioxine
CID 142113644
3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
ethane;1,2,3-trimethylbenzene
CID 54068667
8-methyl-5-propan-2-yl-1,4-benzodioxine
CID 145358856
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),3,6,9,11,13,16,19,22,24-decaene
CID 57186040
2-methyl-7λ3-ioda-9-oxabicyclo[4.3.0]nona-1,3,5,7-tetraene
CID 163537485
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
ethane;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 178084846
2-chloro-1,3-dimethylbenzene;2,2-difluoro-4-methyl-1,3-benzodioxole;2-fluoro-1,3-dimethylbenzene
CID 158133029

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,4-benzodioxine?
The IUPAC name of ethane;5-methyl-1,4-benzodioxine (CID 54069523) is ethane;5-methyl-1,4-benzodioxine.
What is the SMILES notation for ethane;5-methyl-1,4-benzodioxine?
The canonical SMILES for ethane;5-methyl-1,4-benzodioxine is CC.CC.Cc1cccc2c1OC=CO2.
What is the InChIKey of ethane;5-methyl-1,4-benzodioxine?
The InChIKey is MFKLSOUKPHWDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.2C2H6/c1-7-3-2-4-8-9(7)11-6-5-10-8;2*1-2/h2-6H,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-1,4-benzodioxine?
ethane;5-methyl-1,4-benzodioxine has a molecular weight of 208.30 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,4-benzodioxine is sourced from PubChem (CID 54069523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).