(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C16H26O4 — CID 23561057

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC3COC(C)(C)O3)C(C2)C1C
InChIInChI=1S/C16H26O4/c1-9-10(2)13-5-11(9)6-14(13)15(17)18-7-12-8-19-16(3,4)20-12/h9-14H,5-8H2,1-4H3
InChIKeyOTLPQLJKFJIUMQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.61
Rot. Bonds3

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 23561057) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID23561057
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OCC3COC(C)(C)O3)C(C2)C1C
InChIInChI=1S/C16H26O4/c1-9-10(2)13-5-11(9)6-14(13)15(17)18-7-12-8-19-16(3,4)20-12/h9-14H,5-8H2,1-4H3
InChIKeyOTLPQLJKFJIUMQ-UHFFFAOYSA-N
XLogP2.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate 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 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 23561057) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)OCC3COC(C)(C)O3)C(C2)C1C.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is OTLPQLJKFJIUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-9-10(2)13-5-11(9)6-14(13)15(17)18-7-12-8-19-16(3,4)20-12/h9-14H,5-8H2,1-4H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.61, 3 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 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 23561057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).