(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate

C17H28O2 — CID 20681898

IUPAC(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2
InChIInChI=1S/C17H28O2/c1-4-17(10-13-5-6-14(17)9-13)19-16(18)15-8-11(2)7-12(15)3/h11-15H,4-10H2,1-3H3
InChIKeySVKPAWFTRCDVAX-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.18
Rot. Bonds3

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate (PubChem CID 20681898) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
PubChem CID20681898
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2
InChIInChI=1S/C17H28O2/c1-4-17(10-13-5-6-14(17)9-13)19-16(18)15-8-11(2)7-12(15)3/h11-15H,4-10H2,1-3H3
InChIKeySVKPAWFTRCDVAX-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate 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 (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate (CID 20681898) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate is CCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2.
What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The InChIKey is SVKPAWFTRCDVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-17(10-13-5-6-14(17)9-13)19-16(18)15-8-11(2)7-12(15)3/h11-15H,4-10H2,1-3H3.
What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate has a molecular weight of 264.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 20681898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).