methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate

C17H28O2 — CID 20622000

IUPACmethyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCCC1CC(C)C2C3CC(C12)C(C)(C(=O)OC)C3
InChIInChI=1S/C17H28O2/c1-5-6-11-7-10(2)14-12-8-13(15(11)14)17(3,9-12)16(18)19-4/h10-15H,5-9H2,1-4H3
InChIKeyBPIUXAVWOXXHOJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.89
Rot. Bonds3

About methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate

methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 20622000) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID20622000
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namemethyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCCC1CC(C)C2C3CC(C12)C(C)(C(=O)OC)C3
InChIInChI=1S/C17H28O2/c1-5-6-11-7-10(2)14-12-8-13(15(11)14)17(3,9-12)16(18)19-4/h10-15H,5-9H2,1-4H3
InChIKeyBPIUXAVWOXXHOJ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-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 methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 20622000) is methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate is CCCC1CC(C)C2C3CC(C12)C(C)(C(=O)OC)C3.
What is the InChIKey of methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is BPIUXAVWOXXHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-6-11-7-10(2)14-12-8-13(15(11)14)17(3,9-12)16(18)19-4/h10-15H,5-9H2,1-4H3.
What are the key properties of methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 264.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 20622000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).