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

C16H24O4 — CID 20608179

IUPAC[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate
SMILESCC(=O)OC(C1CCOC1=O)C1CC2CC1C(C)C2C
InChIInChI=1S/C16H24O4/c1-8-9(2)13-6-11(8)7-14(13)15(20-10(3)17)12-4-5-19-16(12)18/h8-9,11-15H,4-7H2,1-3H3
InChIKeySPFIXDQUXXJQHZ-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.41
Rot. Bonds3

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

[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate (PubChem CID 20608179) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate.

Molecular Properties

Compound Name[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate
PubChem CID20608179
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate
SMILESCC(=O)OC(C1CCOC1=O)C1CC2CC1C(C)C2C
InChIInChI=1S/C16H24O4/c1-8-9(2)13-6-11(8)7-14(13)15(20-10(3)17)12-4-5-19-16(12)18/h8-9,11-15H,4-7H2,1-3H3
InChIKeySPFIXDQUXXJQHZ-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Norbornane-2,3-dicarboxylic acid bis-(2-ethyl-hexyl) ester
CID 69185309
Tert-butyl 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 20587144
[1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate
CID 20608157
[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] 2,2,2-trifluoroacetate
CID 20608178
1-[4-[5-(Hydroxymethyl)-3-methyl-2-bicyclo[2.2.1]heptanyl]-2,5-dioxooxolan-3-yl]ethyl 2,2,2-trifluoroacetate
CID 58825975
Bis(1-ethoxy-2,2-difluoro-1-oxopentan-3-yl) bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 70936439
Tert-butyl 3-[5-methyl-6-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 89667508
3-(Bicyclo[2.2.1]heptane-2-carbonyloxy)-2,2-difluoro-5-methylhexanoate
CID 140669892
3-(Bicyclo[2.2.1]heptane-2-carbonyloxy)-2,2-difluoro-4-methylpentanoate
CID 140669901
Tert-butyl 5-[2,5-dioxo-4-[1-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]ethyl]oxolan-3-yl]-6-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 145852328
Tert-butyl 3-[5-methyl-6-(4-methyl-2,5-dioxooxolan-3-yl)-2-bicyclo[2.2.1]heptanyl]-3-(2,2,2-trifluoroacetyl)oxypropanoate;methane
CID 157108094
3-Cyclopentyl-2,2-difluoro-3-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanoate
CID 172480921

Frequently Asked Questions

What is the IUPAC name of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate?
The IUPAC name of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate (CID 20608179) is [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate.
What is the SMILES notation for [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate?
The canonical SMILES for [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate is CC(=O)OC(C1CCOC1=O)C1CC2CC1C(C)C2C.
What is the InChIKey of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate?
The InChIKey is SPFIXDQUXXJQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-8-9(2)13-6-11(8)7-14(13)15(20-10(3)17)12-4-5-19-16(12)18/h8-9,11-15H,4-7H2,1-3H3.
What are the key properties of [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate?
[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate has a molecular weight of 280.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-(2-oxooxolan-3-yl)methyl] acetate is sourced from PubChem (CID 20608179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).