7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane

C12H18 — CID 159809006

IUPAC7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
SMILESCC.CC1c2ccccc2C1C
InChIInChI=1S/C10H12.C2H6/c1-7-8(2)10-6-4-3-5-9(7)10;1-2/h3-8H,1-2H3;1-2H3
InChIKeyNKTVFYSQYHSBSB-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.93
Rot. Bonds

About 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane

7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane (PubChem CID 159809006) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane.

Molecular Properties

Compound Name7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
PubChem CID159809006
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
SMILESCC.CC1c2ccccc2C1C
InChIInChI=1S/C10H12.C2H6/c1-7-8(2)10-6-4-3-5-9(7)10;1-2/h3-8H,1-2H3;1-2H3
InChIKeyNKTVFYSQYHSBSB-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
rubidium(1+);1,4,5-trimethyl-4,5-dihydro-1H-2-benzazepin-2-id-3-one
CID 59055279
(1R,3S,4S)-1,3,4-trimethyl-3,4-dihydro-1H-isochromene
CID 6429795
1,4-dimethyl-1,4-dihydronaphthalene
CID 13283200
8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45084610
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
ethane;1,2,3-trimethyl-2,3-dihydroindole
CID 91500184
3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
CID 123539501
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
1,3-dimethyl-1,3-dihydroisoindol-2-ide;yttrium
CID 177158601

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane?
The IUPAC name of 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane (CID 159809006) is 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane.
What is the SMILES notation for 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane?
The canonical SMILES for 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane is CC.CC1c2ccccc2C1C.
What is the InChIKey of 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane?
The InChIKey is NKTVFYSQYHSBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H6/c1-7-8(2)10-6-4-3-5-9(7)10;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane?
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane has a molecular weight of 162.28 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane is sourced from PubChem (CID 159809006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).