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

C15H24O4 — CID 23561038

IUPAC1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1C2CC(CC(=O)OCC3COCO3)C(C2)C1C
InChIInChI=1S/C15H24O4/c1-9-10(2)14-4-11(9)3-12(14)5-15(16)18-7-13-6-17-8-19-13/h9-14H,3-8H2,1-2H3
InChIKeyFHDHOWDBGHJPTC-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.22
Rot. Bonds4

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

1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 23561038) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID23561038
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1C2CC(CC(=O)OCC3COCO3)C(C2)C1C
InChIInChI=1S/C15H24O4/c1-9-10(2)14-4-11(9)3-12(14)5-15(16)18-7-13-6-17-8-19-13/h9-14H,3-8H2,1-2H3
InChIKeyFHDHOWDBGHJPTC-UHFFFAOYSA-N
XLogP2.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-5-(trifluoromethyl)oxolan-3-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CID 57676793
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
3-(1,3-Dioxolan-2-ylmethyl)bicyclo[2.2.1]heptan-2-one
CID 85279921
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
Tert-butyl 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-methoxycarbonyloxypropanoate
CID 20587148
Tert-butyl 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]propanoate
CID 20587150

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate (CID 23561038) is 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate is CC1C2CC(CC(=O)OCC3COCO3)C(C2)C1C.
What is the InChIKey of 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is FHDHOWDBGHJPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-9-10(2)14-4-11(9)3-12(14)5-15(16)18-7-13-6-17-8-19-13/h9-14H,3-8H2,1-2H3.
What are the key properties of 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate?
1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 268.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-4-ylmethyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 23561038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).