(2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate

C14H22O3 — CID 22085830

IUPAC(2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate
SMILESCCC1(OC(=O)C2CCCO2)CC2CCC1C2
InChIInChI=1S/C14H22O3/c1-2-14(9-10-5-6-11(14)8-10)17-13(15)12-4-3-7-16-12/h10-12H,2-9H2,1H3
InChIKeyPXOYIEDTZBDSJG-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds3

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate (PubChem CID 22085830) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate
PubChem CID22085830
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate
SMILESCCC1(OC(=O)C2CCCO2)CC2CCC1C2
InChIInChI=1S/C14H22O3/c1-2-14(9-10-5-6-11(14)8-10)17-13(15)12-4-3-7-16-12/h10-12H,2-9H2,1H3
InChIKeyPXOYIEDTZBDSJG-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-O-(1-ethylcyclopentyl) 3,5-diethylcyclopentane-1,2-dicarboxylate
CID 21351450
2-[[(1R,3R,6R)-3-ethyl-3-bicyclo[4.4.1]undecanyl]oxy]-1-(oxolan-2-yl)ethanone
CID 91305241
[2-(hydroxymethyl)oxolan-2-yl]methanol;methyl oxolane-2-carboxylate
CID 157379582
butan-2-yl oxolane-2-carboxylate
CID 134916565
hexane;methanol;oxolane-2-carboxylic acid
CID 70354682
2-(propylamino)ethyl oxolane-2-carboxylate
CID 82532815
prop-2-enyl (2S)-oxolane-2-carboxylate
CID 93497313
2-methylpropane-1,3-diol;oxolane-2-carboxylic acid
CID 159609797
oxolane-2-carboxylic acid;silver
CID 160678639
(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
CID 94468705
(2R)-oxolane-2-carbonyl chloride;(2R)-oxolane-2-carboxylic acid
CID 87727117
2-ethyl-2-iodobicyclo[2.2.1]heptane
CID 142982397

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate?
The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate (CID 22085830) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate.
What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate?
The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate is CCC1(OC(=O)C2CCCO2)CC2CCC1C2.
What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate?
The InChIKey is PXOYIEDTZBDSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-14(9-10-5-6-11(14)8-10)17-13(15)12-4-3-7-16-12/h10-12H,2-9H2,1H3.
What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate?
(2-ethyl-2-bicyclo[2.2.1]heptanyl) oxolane-2-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 2.68, 3 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) oxolane-2-carboxylate is sourced from PubChem (CID 22085830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).