ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate

C17H30O2 — CID 91327954

IUPACethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC.CCC1(OC(=O)C2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H24O2.C2H6/c1-2-15(7-3-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyHESKHJAFZSCYSM-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.71
Rot. Bonds3

About ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate

ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 91327954) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nameethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID91327954
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Nameethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC.CCC1(OC(=O)C2CC3CCC2C3)CCCC1
InChIInChI=1S/C15H24O2.C2H6/c1-2-15(7-3-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11;1-2/h11-13H,2-10H2,1H3;1-2H3
InChIKeyHESKHJAFZSCYSM-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate (CID 91327954) is ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate is CC.CCC1(OC(=O)C2CC3CCC2C3)CCCC1.
What is the InChIKey of ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is HESKHJAFZSCYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C2H6/c1-2-15(7-3-4-8-15)17-14(16)13-10-11-5-6-12(13)9-11;1-2/h11-13H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate?
ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 266.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 91327954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).