2,2,4-trimethylbicyclo[5.2.0]nonane

C12H22 — CID 123508525

IUPAC2,2,4-trimethylbicyclo[5.2.0]nonane
SMILESCC1CCC2CCC2C(C)(C)C1
InChIInChI=1S/C12H22/c1-9-4-5-10-6-7-11(10)12(2,3)8-9/h9-11H,4-8H2,1-3H3
InChIKeyKKAPUKYNKOQJKA-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About 2,2,4-trimethylbicyclo[5.2.0]nonane

2,2,4-trimethylbicyclo[5.2.0]nonane (PubChem CID 123508525) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,2,4-trimethylbicyclo[5.2.0]nonane.

Molecular Properties

Compound Name2,2,4-trimethylbicyclo[5.2.0]nonane
PubChem CID123508525
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,2,4-trimethylbicyclo[5.2.0]nonane
SMILESCC1CCC2CCC2C(C)(C)C1
InChIInChI=1S/C12H22/c1-9-4-5-10-6-7-11(10)12(2,3)8-9/h9-11H,4-8H2,1-3H3
InChIKeyKKAPUKYNKOQJKA-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2,2-dimethylcyclopropyl)cyclopentane
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2-methoxy-1,1,5-trimethylcyclohexane
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1,1,2,7-tetramethylcyclooctane
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1-(2,2,4-trimethylcyclohexyl)ethylsilane
CID 123412592
1,1,2,8-tetramethylcyclononane
CID 123968014
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
(1Z)-1,2,3,3,5,8,10,10-octamethylcyclodecene
CID 143700143
2-methylbicyclo[2.2.0]hexan-2-amine
CID 123842739
7-fluoro-8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
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CID 25022262

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylbicyclo[5.2.0]nonane?
The IUPAC name of 2,2,4-trimethylbicyclo[5.2.0]nonane (CID 123508525) is 2,2,4-trimethylbicyclo[5.2.0]nonane.
What is the SMILES notation for 2,2,4-trimethylbicyclo[5.2.0]nonane?
The canonical SMILES for 2,2,4-trimethylbicyclo[5.2.0]nonane is CC1CCC2CCC2C(C)(C)C1.
What is the InChIKey of 2,2,4-trimethylbicyclo[5.2.0]nonane?
The InChIKey is KKAPUKYNKOQJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-4-5-10-6-7-11(10)12(2,3)8-9/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,2,4-trimethylbicyclo[5.2.0]nonane?
2,2,4-trimethylbicyclo[5.2.0]nonane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylbicyclo[5.2.0]nonane is sourced from PubChem (CID 123508525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).