(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate

C17H28O4 — CID 23561056

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1C2CC(CC(=O)OCC3COC(C)(C)O3)C(C2)C1C
InChIInChI=1S/C17H28O4/c1-10-11(2)15-6-12(10)5-13(15)7-16(18)19-8-14-9-20-17(3,4)21-14/h10-15H,5-9H2,1-4H3
InChIKeyKYJSKFJWHPUCOW-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.00
Rot. Bonds4

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 23561056) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID23561056
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1C2CC(CC(=O)OCC3COC(C)(C)O3)C(C2)C1C
InChIInChI=1S/C17H28O4/c1-10-11(2)15-6-12(10)5-13(15)7-16(18)19-8-14-9-20-17(3,4)21-14/h10-15H,5-9H2,1-4H3
InChIKeyKYJSKFJWHPUCOW-UHFFFAOYSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate with MolForge

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Related Compounds

3-[6-[2-(Ethoxymethoxy)-2-fluoropropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-4-methyloxolane-2,5-dione
CID 21362173
[4,4-Difluoro-5-hydroxy-2,2,5-tris(trifluoromethyl)oxolan-3-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 57676714
[4,4-Difluoro-5-hydroxy-5-(trifluoromethyl)oxolan-3-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 57676793
[2-(5,5-Difluoro-2-oxooxolan-3-yl)oxy-2-oxoethyl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 58226026
[5,5,5-Trifluoro-4-(2-methoxypropan-2-yloxy)-4-(trifluoromethyl)pentan-2-yl] bicyclo[2.2.1]heptane-2-carboxylate
CID 58640855
Malonic acid, [2-(6,6-ethylenedioxynorbornan-2-endo-yl)methyl]-, diethyl ester
CID 604471
3-(2-Methyl-1,3-dioxolan-2-yl)bicyclo[2.2.1]heptan-2-one
CID 12547604
Ethyl 3-(1,3-dioxolan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate
CID 14254581
2-(2-Methoxyethoxy)ethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336211
2-Ethoxyethoxymethyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 18336285
(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

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate (CID 23561056) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate is CC1C2CC(CC(=O)OCC3COC(C)(C)O3)C(C2)C1C.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is KYJSKFJWHPUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-10-11(2)15-6-12(10)5-13(15)7-16(18)19-8-14-9-20-17(3,4)21-14/h10-15H,5-9H2,1-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 296.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 23561056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).