1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane

C14H26 — CID 123188364

IUPAC1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane
SMILESCC(C)C1C(C)C2(C)C(C)(C)CC12C
InChIInChI=1S/C14H26/c1-9(2)11-10(3)14(7)12(4,5)8-13(11,14)6/h9-11H,8H2,1-7H3
InChIKeyAEVMKXUXEAYRGJ-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.35
Rot. Bonds1

About 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane

1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane (PubChem CID 123188364) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane
PubChem CID123188364
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane
SMILESCC(C)C1C(C)C2(C)C(C)(C)CC12C
InChIInChI=1S/C14H26/c1-9(2)11-10(3)14(7)12(4,5)8-13(11,14)6/h9-11H,8H2,1-7H3
InChIKeyAEVMKXUXEAYRGJ-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane?
The IUPAC name of 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane (CID 123188364) is 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane?
The canonical SMILES for 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane is CC(C)C1C(C)C2(C)C(C)(C)CC12C.
What is the InChIKey of 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane?
The InChIKey is AEVMKXUXEAYRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-9(2)11-10(3)14(7)12(4,5)8-13(11,14)6/h9-11H,8H2,1-7H3.
What are the key properties of 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane?
1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane has a molecular weight of 194.36 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,6-pentamethyl-5-propan-2-ylbicyclo[2.2.0]hexane is sourced from PubChem (CID 123188364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).