[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate

C13H20O2 — CID 121494090

IUPAC[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
SMILESCC(=O)OCC1CC2C(C1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C13H20O2/c1-8(14)15-7-9-4-12-10-2-3-11(6-10)13(12)5-9/h9-13H,2-7H2,1H3/t9?,10-,11+,12?,13?
InChIKeyDOTCCDYHDBZAAY-FMNWTUGISA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds2

About [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate

[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate (PubChem CID 121494090) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate.

Molecular Properties

Compound Name[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
PubChem CID121494090
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
SMILESCC(=O)OCC1CC2C(C1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C13H20O2/c1-8(14)15-7-9-4-12-10-2-3-11(6-10)13(12)5-9/h9-13H,2-7H2,1H3/t9?,10-,11+,12?,13?
InChIKeyDOTCCDYHDBZAAY-FMNWTUGISA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate 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

4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
4,7-Methano-1H-inden-5-ol, octahydro-, 5-acetate
CID 85724
Ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
CID 157342
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
CID 157343
4,7-Methano-1H-indenemethanol, octahydro-, acetate
CID 161675
4,7-Methano-1H-indenemethanol, octahydro-, formate
CID 3034838
Bicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-, 2-acetate
CID 86115
4,7-Methano-1H-indene-2-methanol, octahydro-, 2-formate
CID 115843
4,7-Methano-1H-indene-2-methanol, octahydro-, 2-acetate
CID 115844
(-)-Isolongifolol, acetate
CID 14634627
4,7-Methano-1H-indene-2-carboxylic acid, octahydro-, ethyl ester
CID 109169
4,7-Methano-1H-indene-5-carboxylic acid, octahydro-, ethyl ester
CID 109171

Frequently Asked Questions

What is the IUPAC name of [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate?
The IUPAC name of [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate (CID 121494090) is [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate.
What is the SMILES notation for [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate?
The canonical SMILES for [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate is CC(=O)OCC1CC2C(C1)[C@H]1CC[C@@H]2C1.
What is the InChIKey of [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate?
The InChIKey is DOTCCDYHDBZAAY-FMNWTUGISA-N. The full InChI is InChI=1S/C13H20O2/c1-8(14)15-7-9-4-12-10-2-3-11(6-10)13(12)5-9/h9-13H,2-7H2,1H3/t9?,10-,11+,12?,13?.
What are the key properties of [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate?
[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate has a molecular weight of 208.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate is sourced from PubChem (CID 121494090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).