(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate

C19H32O3 — CID 21351486

IUPAC(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate
SMILESCCC1CC(CC(=O)OC2(CC)CC3CCC2C3)C(CC)O1
InChIInChI=1S/C19H32O3/c1-4-16-10-14(17(5-2)21-16)11-18(20)22-19(6-3)12-13-7-8-15(19)9-13/h13-17H,4-12H2,1-3H3
InChIKeySXJHAZGOWNKMDN-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.48
Rot. Bonds6

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate (PubChem CID 21351486) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate
PubChem CID21351486
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate
SMILESCCC1CC(CC(=O)OC2(CC)CC3CCC2C3)C(CC)O1
InChIInChI=1S/C19H32O3/c1-4-16-10-14(17(5-2)21-16)11-18(20)22-19(6-3)12-13-7-8-15(19)9-13/h13-17H,4-12H2,1-3H3
InChIKeySXJHAZGOWNKMDN-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate?
The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate (CID 21351486) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate.
What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate?
The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate is CCC1CC(CC(=O)OC2(CC)CC3CCC2C3)C(CC)O1.
What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate?
The InChIKey is SXJHAZGOWNKMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-4-16-10-14(17(5-2)21-16)11-18(20)22-19(6-3)12-13-7-8-15(19)9-13/h13-17H,4-12H2,1-3H3.
What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate?
(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate has a molecular weight of 308.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-(2,5-diethyloxolan-3-yl)acetate is sourced from PubChem (CID 21351486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).