(2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate

C18H30O2 — CID 20681895

IUPAC(2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate
SMILESCCC1(OC(=O)C2(C)CC(C)CC2C)CC2CCC1C2
InChIInChI=1S/C18H30O2/c1-5-18(11-14-6-7-15(18)9-14)20-16(19)17(4)10-12(2)8-13(17)3/h12-15H,5-11H2,1-4H3
InChIKeyFFPJMQJDMVCASQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.57
Rot. Bonds3

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate (PubChem CID 20681895) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate
PubChem CID20681895
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate
SMILESCCC1(OC(=O)C2(C)CC(C)CC2C)CC2CCC1C2
InChIInChI=1S/C18H30O2/c1-5-18(11-14-6-7-15(18)9-14)20-16(19)17(4)10-12(2)8-13(17)3/h12-15H,5-11H2,1-4H3
InChIKeyFFPJMQJDMVCASQ-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.57
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) 1,2,4-trimethylcyclopentane-1-carboxylate?
The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate (CID 20681895) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate is CCC1(OC(=O)C2(C)CC(C)CC2C)CC2CCC1C2.
What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate?
The InChIKey is FFPJMQJDMVCASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-18(11-14-6-7-15(18)9-14)20-16(19)17(4)10-12(2)8-13(17)3/h12-15H,5-11H2,1-4H3.
What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate?
(2-ethyl-2-bicyclo[2.2.1]heptanyl) 1,2,4-trimethylcyclopentane-1-carboxylate has a molecular weight of 278.44 g/mol, XLogP of 4.57, 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) 1,2,4-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 20681895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).