2,6-dimethylbicyclo[3.2.0]heptane

C9H16 — CID 91170917

IUPAC2,6-dimethylbicyclo[3.2.0]heptane
SMILESCC1CC2C(C)CCC12
InChIInChI=1S/C9H16/c1-6-3-4-8-7(2)5-9(6)8/h6-9H,3-5H2,1-2H3
InChIKeyVNUBTROYTUIKGC-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds

About 2,6-dimethylbicyclo[3.2.0]heptane

2,6-dimethylbicyclo[3.2.0]heptane (PubChem CID 91170917) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2,6-dimethylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,6-dimethylbicyclo[3.2.0]heptane
PubChem CID91170917
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2,6-dimethylbicyclo[3.2.0]heptane
SMILESCC1CC2C(C)CCC12
InChIInChI=1S/C9H16/c1-6-3-4-8-7(2)5-9(6)8/h6-9H,3-5H2,1-2H3
InChIKeyVNUBTROYTUIKGC-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene
CID 170286025
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
4-ethyl-9-methyltricyclo[6.2.0.02,5]decane
CID 123785959
2,5,7,9-tetramethylbicyclo[4.2.1]nonane
CID 123564718
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylbicyclo[3.2.0]heptane?
The IUPAC name of 2,6-dimethylbicyclo[3.2.0]heptane (CID 91170917) is 2,6-dimethylbicyclo[3.2.0]heptane.
What is the SMILES notation for 2,6-dimethylbicyclo[3.2.0]heptane?
The canonical SMILES for 2,6-dimethylbicyclo[3.2.0]heptane is CC1CC2C(C)CCC12.
What is the InChIKey of 2,6-dimethylbicyclo[3.2.0]heptane?
The InChIKey is VNUBTROYTUIKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-6-3-4-8-7(2)5-9(6)8/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethylbicyclo[3.2.0]heptane?
2,6-dimethylbicyclo[3.2.0]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylbicyclo[3.2.0]heptane is sourced from PubChem (CID 91170917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).