(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate

C12H18O3 — CID 143448424

IUPAC(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate
SMILESCC(=O)OCOC1CC2CC3C2(C)C13C
InChIInChI=1S/C12H18O3/c1-7(13)14-6-15-10-5-8-4-9-11(8,2)12(9,10)3/h8-10H,4-6H2,1-3H3
InChIKeyABNFZXYURCGTGU-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.96
Rot. Bonds3

About (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate

(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate (PubChem CID 143448424) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate.

Molecular Properties

Compound Name(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate
PubChem CID143448424
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate
SMILESCC(=O)OCOC1CC2CC3C2(C)C13C
InChIInChI=1S/C12H18O3/c1-7(13)14-6-15-10-5-8-4-9-11(8,2)12(9,10)3/h8-10H,4-6H2,1-3H3
InChIKeyABNFZXYURCGTGU-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl 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

acetyloxymethyl acetate;azane
CID 172795061
2-(1-adamantyl)ethoxymethyl acetate
CID 118688895
acetic acid;acetyloxymethyl acetate
CID 175421869
[(1R,8R)-5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl]methyl acetate
CID 166917665
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
CID 524259
8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate
CID 58944299
(2-hydroxy-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
CID 85385549
[8-(acetyloxymethyl)-2,2,7,7-tetrafluoro-1-tricyclo[4.3.1.13,8]undecanyl]methyl acetate
CID 167886348
[(1S,2R,5S,7R,8R)-8-hydroxy-2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undecanyl]methyl acetate
CID 166643255
bis(acetyloxymethyl) propanedioate
CID 59124845
[(1R,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl acetate
CID 126689438

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate?
The IUPAC name of (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate (CID 143448424) is (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate.
What is the SMILES notation for (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate?
The canonical SMILES for (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate is CC(=O)OCOC1CC2CC3C2(C)C13C.
What is the InChIKey of (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate?
The InChIKey is ABNFZXYURCGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-7(13)14-6-15-10-5-8-4-9-11(8,2)12(9,10)3/h8-10H,4-6H2,1-3H3.
What are the key properties of (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate?
(1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate has a molecular weight of 210.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-3-tricyclo[3.2.0.02,7]heptanyl)oxymethyl acetate is sourced from PubChem (CID 143448424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).