oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate

C21H34O3 — CID 20621998

IUPACoxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCCC1CC(C)C2C3CC(C12)C(C)(C(=O)OC1CCCCO1)C3
InChIInChI=1S/C21H34O3/c1-4-7-14-10-13(2)18-15-11-16(19(14)18)21(3,12-15)20(22)24-17-8-5-6-9-23-17/h13-19H,4-12H2,1-3H3
InChIKeyLFJPCAPOOJDJIA-UHFFFAOYSA-N
MW334.50 g/mol
LogP4.79
Rot. Bonds4

About oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate

oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 20621998) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Nameoxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID20621998
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Nameoxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCCC1CC(C)C2C3CC(C12)C(C)(C(=O)OC1CCCCO1)C3
InChIInChI=1S/C21H34O3/c1-4-7-14-10-13(2)18-15-11-16(19(14)18)21(3,12-15)20(22)24-17-8-5-6-9-23-17/h13-19H,4-12H2,1-3H3
InChIKeyLFJPCAPOOJDJIA-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxan-2-yl 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

Related Compounds

Oxan-2-yl 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 58823652
Oxan-2-yl 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 59203942
1-Ethoxyethyl 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 59203947
Oxan-2-yl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20622003
Bis(oxan-2-yl) 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 20622004
1-Ethoxyethyl tricyclo[5.2.1.02,6]decane-4-carboxylate
CID 20650542
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate
CID 20657362
1-Ethoxyethyl 8-methyltricyclo[5.2.1.02,6]decane-4-carboxylate
CID 20657367
1-Ethoxyethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20661464
Methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20661465
Oxan-2-yl 5-propan-2-ylbicyclo[2.2.1]heptane-2-carboxylate
CID 20698007
1-Ethoxyethyl 3,5-diethyltricyclo[5.2.1.02,6]decane-8-carboxylate
CID 20743843

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 20621998) is oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate is CCCC1CC(C)C2C3CC(C12)C(C)(C(=O)OC1CCCCO1)C3.
What is the InChIKey of oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is LFJPCAPOOJDJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O3/c1-4-7-14-10-13(2)18-15-11-16(19(14)18)21(3,12-15)20(22)24-17-8-5-6-9-23-17/h13-19H,4-12H2,1-3H3.
What are the key properties of oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 334.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 3,8-dimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 20621998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).