1,2,4-trimethylcyclopentane

C8H16 — CID 17779

IUPAC1,2,4-trimethylcyclopentane
SMILESCC1CC(C)C(C)C1
InChIInChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3
InChIKeyPNUFYSGVPVMNRN-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.69
Rot. Bonds

About 1,2,4-trimethylcyclopentane

1,2,4-trimethylcyclopentane (PubChem CID 17779) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1,2,4-trimethylcyclopentane.

Molecular Properties

Compound Name1,2,4-trimethylcyclopentane
PubChem CID17779
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1,2,4-trimethylcyclopentane
SMILESCC1CC(C)C(C)C1
InChIInChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3
InChIKeyPNUFYSGVPVMNRN-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4-trimethylcyclopentane 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 1,2,4-trimethylcyclopentane?
The IUPAC name of 1,2,4-trimethylcyclopentane (CID 17779) is 1,2,4-trimethylcyclopentane.
What is the SMILES notation for 1,2,4-trimethylcyclopentane?
The canonical SMILES for 1,2,4-trimethylcyclopentane is CC1CC(C)C(C)C1.
What is the InChIKey of 1,2,4-trimethylcyclopentane?
The InChIKey is PNUFYSGVPVMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,2,4-trimethylcyclopentane?
1,2,4-trimethylcyclopentane has a molecular weight of 112.22 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 1,2,4-trimethylcyclopentane is sourced from PubChem (CID 17779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).