2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C9H10O2 — CID 69101628

IUPAC2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOc1cc2cc(C)c1o2
InChIInChI=1S/C9H10O2/c1-3-10-8-5-7-4-6(2)9(8)11-7/h4-5H,3H2,1-2H3
InChIKeyNDVCEPAGGUQTLI-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.58
Rot. Bonds2

About 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 69101628) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID69101628
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOc1cc2cc(C)c1o2
InChIInChI=1S/C9H10O2/c1-3-10-8-5-7-4-6(2)9(8)11-7/h4-5H,3H2,1-2H3
InChIKeyNDVCEPAGGUQTLI-UHFFFAOYSA-N
XLogP2.58
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943225
3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
CID 102460530
2-ethoxy-4,5-dimethylphenol
CID 82053903
ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943224
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
2-ethoxy-6,7-dimethylnaphthalene-1,4-diol
CID 19886853
(2-ethoxy-4,5-dimethylphenyl)methanol
CID 131316252
2-ethoxy-5-(furan-3-yl)aniline
CID 165490107

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 69101628) is 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CCOc1cc2cc(C)c1o2.
What is the InChIKey of 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is NDVCEPAGGUQTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-10-8-5-7-4-6(2)9(8)11-7/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 150.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 69101628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).