(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate

C14H22O2 — CID 126489359

IUPAC(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
SMILESCC(=O)OCC1CC2CC1C1CC(C)CC21
InChIInChI=1S/C14H22O2/c1-8-3-12-10-5-11(7-16-9(2)15)13(6-10)14(12)4-8/h8,10-14H,3-7H2,1-2H3
InChIKeyWGLFXFJQBQIMJU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.87
Rot. Bonds2

About (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate

(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate (PubChem CID 126489359) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate.

Molecular Properties

Compound Name(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
PubChem CID126489359
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
SMILESCC(=O)OCC1CC2CC1C1CC(C)CC21
InChIInChI=1S/C14H22O2/c1-8-3-12-10-5-11(7-16-9(2)15)13(6-10)14(12)4-8/h8,10-14H,3-7H2,1-2H3
InChIKeyWGLFXFJQBQIMJU-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methyl-8-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

[(1R,2R,4S)-2,4-dimethylcyclohexyl]methyl acetate
CID 7367089
(6-fluoro-3-methyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
CID 138975026
[(1R,2R)-2-(hydroxymethyl)cyclobutyl]methyl acetate
CID 134129812
[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
CID 121494090
[(1R,4R)-6-[(1S,4S)-5-(acetyloxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-5-methyl-2-bicyclo[2.2.1]heptanyl]methoxymethanesulfonic acid
CID 88999316
[(1R,4S)-6-[(1R,4S)-5-(acetyloxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-5-methyl-2-bicyclo[2.2.1]heptanyl]methoxymethanesulfonic acid
CID 59594974
methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
CID 156801086
[(6R)-6-hydroxy-2-bicyclo[2.2.2]octanyl]methyl acetate
CID 71299500
[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-methoxybut-2-enoate
CID 139788272
(2,4-diacetyloxy-5-bromo-3-methylcyclohexyl)methyl acetate
CID 66603334
[(1R,2R,3S,4S)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate
CID 153447573
[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713

Frequently Asked Questions

What is the IUPAC name of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
The IUPAC name of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate (CID 126489359) is (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate.
What is the SMILES notation for (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
The canonical SMILES for (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate is CC(=O)OCC1CC2CC1C1CC(C)CC21.
What is the InChIKey of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
The InChIKey is WGLFXFJQBQIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-8-3-12-10-5-11(7-16-9(2)15)13(6-10)14(12)4-8/h8,10-14H,3-7H2,1-2H3.
What are the key properties of (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate?
(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate has a molecular weight of 222.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate is sourced from PubChem (CID 126489359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).