6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene

C8H8O — CID 66605650

IUPAC6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
SMILESCc1cc2ccc1OC2
InChIInChI=1S/C8H8O/c1-6-4-7-2-3-8(6)9-5-7/h2-4H,5H2,1H3
InChIKeyCBAYNFSSZCOLAV-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.89
Rot. Bonds

About 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene

6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene (PubChem CID 66605650) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene.

Molecular Properties

Compound Name6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
PubChem CID66605650
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
SMILESCc1cc2ccc1OC2
InChIInChI=1S/C8H8O/c1-6-4-7-2-3-8(6)9-5-7/h2-4H,5H2,1H3
InChIKeyCBAYNFSSZCOLAV-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
CID 67654131
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CID 22971527
CID 69327778
CID 69327778
8,9,17,18,26,27,35,36,44,45-decamethyl-4,13,22,31,40-pentamethylidene-2,6,11,15,20,24,29,33,38,42-decaoxahexacyclo[41.2.2.27,10.216,19.225,28.234,37]pentapentaconta-1(45),7,9,16,18,25,27,34,36,43,46,48,50,52,54-pentadecaene
CID 101066722
6-ethyl-3-methyl-2H-chromene
CID 143482553
3,6-dimethyl-2H-pyrano[3,2-b]pyridine
CID 143545346
7-chloro-3-methyl-2H-chromene
CID 20759998
7,15,31,39-tetratert-butyl-3,19,27,43-tetraoxa-11,35-diazaheptacyclo[43.3.1.121,25.04,9.013,18.028,33.037,42]pentaconta-1(49),4(9),5,7,13(18),14,16,21(50),22,24,28(33),29,31,37(42),38,40,45,47-octadecaene
CID 10843364
3,10,13,16,19,26-hexaoxatetracyclo[26.2.2.04,9.020,25]dotriaconta-1(31),4,6,8,20,22,24,28(32),29-nonaene
CID 139077426
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
6,7-dimethyl-3,10,17,24-tetraoxa-29,30-diazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),4(9),5,7,12,14,18,20,22,26-decaene
CID 143767907
1-bromopropane;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
CID 174417666

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The IUPAC name of 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene (CID 66605650) is 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene.
What is the SMILES notation for 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The canonical SMILES for 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene is Cc1cc2ccc1OC2.
What is the InChIKey of 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The InChIKey is CBAYNFSSZCOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-6-4-7-2-3-8(6)9-5-7/h2-4H,5H2,1H3.
What are the key properties of 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene has a molecular weight of 120.15 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxabicyclo[2.2.2]octa-1(6),4,7-triene is sourced from PubChem (CID 66605650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).