(3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C17H26O4 — CID 20736074

IUPAC(3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC3OC(=O)CC3(C)C)C(C2)C1C
InChIInChI=1S/C17H26O4/c1-9-10(2)12-5-11(9)6-13(12)16(19)20-8-14-17(3,4)7-15(18)21-14/h9-14H,5-8H2,1-4H3
InChIKeyRNGJGEONHHJQFZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.80
Rot. Bonds3

About (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

(3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 20736074) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID20736074
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC3OC(=O)CC3(C)C)C(C2)C1C
InChIInChI=1S/C17H26O4/c1-9-10(2)12-5-11(9)6-13(12)16(19)20-8-14-17(3,4)7-15(18)21-14/h9-14H,5-8H2,1-4H3
InChIKeyRNGJGEONHHJQFZ-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-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

1,1,1-Trifluoropropan-2-yl 2-methyl-3-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]propanoate
CID 89667507
Camphanoyloxyoctadecanedioic acid dimethylester
CID 129720554
5-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-2-one
CID 86011225
methyl 3,5a,8-trimethyl-2-oxo-3a,4,5,6,7,8,8a,8b-octahydro-3H-cyclopenta[g][1]benzofuran-7-carboxylate
CID 12922891
5,6-Dimethylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 18336187
(2-Oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336291
(5-Oxooxolan-3-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336314
[2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
CID 20608168
[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate
CID 20608179
Dimethyl 5-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,5-dioxooxolan-3-yl]-6-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 20678190
Methyl 5-[2,5-dioxo-4-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-3-yl]-2,2-dimethylpentanoate
CID 20680047
Methyl 4-[4-[6-(1-hydroxyethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]-2,2-dimethylbutanoate
CID 20692404

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 20736074) is (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)OCC3OC(=O)CC3(C)C)C(C2)C1C.
What is the InChIKey of (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is RNGJGEONHHJQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-9-10(2)12-5-11(9)6-13(12)16(19)20-8-14-17(3,4)7-15(18)21-14/h9-14H,5-8H2,1-4H3.
What are the key properties of (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
(3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-5-oxooxolan-2-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 20736074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).