6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine

C11H16O2 — CID 163735194

IUPAC6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine
SMILESCCC1C=CC2=C(OCCO2)C1C
InChIInChI=1S/C11H16O2/c1-3-9-4-5-10-11(8(9)2)13-7-6-12-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyLCZIWPVNWZTYAT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.48
Rot. Bonds1

About 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine

6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine (PubChem CID 163735194) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine
PubChem CID163735194
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine
SMILESCCC1C=CC2=C(OCCO2)C1C
InChIInChI=1S/C11H16O2/c1-3-9-4-5-10-11(8(9)2)13-7-6-12-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyLCZIWPVNWZTYAT-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-Fluoroethoxy)ethoxy]-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 155197618
7-[(1E)-1-ethoxybuta-1,3-dienyl]-4-ethyl-2,3,4,5-tetrahydrooxepine
CID 11333540
6-(6,6-dimethylcyclohex-2-en-1-yl)-2H-pyran-3-ol
CID 66729156
2-(2-Methoxy-3-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 67053423
7-Methyl-2,3,7,8-tetrahydro-1,4-benzodioxine
CID 68083209
2,3-Dimethoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 68150506
5-(2,4-dimethylcyclobutyl)-6-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxine
CID 68244960
4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene
CID 70268115
2-[2-(2-Methoxyethoxy)cyclohexa-1,3-dien-1-yl]-1,4-dioxine
CID 70307001
6-Ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexa-1,3-diene
CID 70900159
(9E)-9-[(Z)-but-2-enylidene]-3-methyl-5,8-dioxaspiro[3.5]nonane
CID 88267787
3-methyl-5-[(Z)-prop-1-enyl]-6-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 89247388

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine?
The IUPAC name of 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine (CID 163735194) is 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine.
What is the SMILES notation for 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine?
The canonical SMILES for 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine is CCC1C=CC2=C(OCCO2)C1C.
What is the InChIKey of 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine?
The InChIKey is LCZIWPVNWZTYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-9-4-5-10-11(8(9)2)13-7-6-12-10/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine?
6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine has a molecular weight of 180.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2,3,5,6-tetrahydro-1,4-benzodioxine is sourced from PubChem (CID 163735194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).