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

C17H26O2 — CID 18471984

IUPAC(2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate
SMILESCCC1(OC(=O)C2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C17H26O2/c1-2-17(10-12-4-6-14(17)8-12)19-16(18)15-9-11-3-5-13(15)7-11/h11-15H,2-10H2,1H3
InChIKeyOAIPSBWSOXSTFC-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.93
Rot. Bonds3

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

(2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 18471984) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID18471984
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate
SMILESCCC1(OC(=O)C2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C17H26O2/c1-2-17(10-12-4-6-14(17)8-12)19-16(18)15-9-11-3-5-13(15)7-11/h11-15H,2-10H2,1H3
InChIKeyOAIPSBWSOXSTFC-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate (CID 18471984) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate is CCC1(OC(=O)C2CC3CCC2C3)CC2CCC1C2.
What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is OAIPSBWSOXSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-17(10-12-4-6-14(17)8-12)19-16(18)15-9-11-3-5-13(15)7-11/h11-15H,2-10H2,1H3.
What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate?
(2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 262.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-bicyclo[2.2.1]heptanyl) bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 18471984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).