6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine

C10H14O2 — CID 144799116

IUPAC6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine
SMILESCC1=CC2=C(CC1C)OCCO2
InChIInChI=1S/C10H14O2/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h5,8H,3-4,6H2,1-2H3
InChIKeyFLENZMOCEIGDFQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds

About 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine

6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine (PubChem CID 144799116) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine.

Molecular Properties

Compound Name6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine
PubChem CID144799116
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine
SMILESCC1=CC2=C(CC1C)OCCO2
InChIInChI=1S/C10H14O2/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h5,8H,3-4,6H2,1-2H3
InChIKeyFLENZMOCEIGDFQ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,3Z)-2-ethylidene-3-(2-fluoroprop-2-enylidene)-4-methyloxane
CID 143857711
7-[(1E)-1-ethoxybuta-1,3-dienyl]-4-ethyl-2,3,4,5-tetrahydrooxepine
CID 11333540
5-Methyl-2,3,6,7-tetrahydro-1,4-benzodioxine
CID 19426250
2-Ethoxy-3-ethyl-1,6-dimethylcyclohexa-1,3-diene
CID 59271357
4-Butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-olate
CID 59271520
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
(6S)-6-methyl-2,3,6,7-tetrahydro-1,4-benzodioxine
CID 68252074
6-Methyl-2,3,6,7-tetrahydro-1,4-benzodioxine
CID 68330528
2-Cyclohexa-1,3-dien-1-yl-6-methyl-1,4-dioxine
CID 69019282
(5R)-5-methyl-2,3,4a,5-tetrahydro-1,4-benzodioxine
CID 70287852
2-[2-(2-Methoxyethoxy)cyclohexa-1,3-dien-1-yl]-1,4-dioxine
CID 70307001

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
The IUPAC name of 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine (CID 144799116) is 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine.
What is the SMILES notation for 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
The canonical SMILES for 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine is CC1=CC2=C(CC1C)OCCO2.
What is the InChIKey of 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
The InChIKey is FLENZMOCEIGDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine?
6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine has a molecular weight of 166.22 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2,3,7,8-tetrahydro-1,4-benzodioxine is sourced from PubChem (CID 144799116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).