1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane

C12H22 — CID 54203389

IUPAC1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane
SMILESCC1CC(C)(C)CC2(C)CC12C
InChIInChI=1S/C12H22/c1-9-6-10(2,3)7-11(4)8-12(9,11)5/h9H,6-8H2,1-5H3
InChIKeyPQUPQZJGLQWNSY-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane

1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane (PubChem CID 54203389) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane
PubChem CID54203389
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane
SMILESCC1CC(C)(C)CC2(C)CC12C
InChIInChI=1S/C12H22/c1-9-6-10(2,3)7-11(4)8-12(9,11)5/h9H,6-8H2,1-5H3
InChIKeyPQUPQZJGLQWNSY-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

Analyze 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carane
CID 79043
1-Isopropyl-1,4,5-trimethylcyclohexane
CID 252330
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1,1,3,4-Tetramethylcyclohexane
CID 15102861
Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
CID 142890
1-Methylbicyclo(4.1.0)heptane
CID 137602
2,4a,8,8-Tetramethyldecahydrocyclopropa[d]naphthalene
CID 579617
cis-Carane
CID 12302437
Aristolane
CID 6857473
4-Methylspiro[2.5]octane
CID 15329636
2-t-Butyl-4-methyl-1-isopropylcyclohexane
CID 22089335
1,2-Dimethyl-4-(t-butyl)-cyclohexane
CID 54196830

Frequently Asked Questions

What is the IUPAC name of 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane?
The IUPAC name of 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane (CID 54203389) is 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane.
What is the SMILES notation for 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane?
The canonical SMILES for 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane is CC1CC(C)(C)CC2(C)CC12C.
What is the InChIKey of 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane?
The InChIKey is PQUPQZJGLQWNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9-6-10(2,3)7-11(4)8-12(9,11)5/h9H,6-8H2,1-5H3.
What are the key properties of 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane?
1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane 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 1,2,4,4,6-pentamethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 54203389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).