(1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate

C18H26O2 — CID 59130084

IUPAC(1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate
SMILESC=C1C(=C)C2CC1CC2C(=O)OC1(CC)CCCCC1
InChIInChI=1S/C18H26O2/c1-4-18(8-6-5-7-9-18)20-17(19)16-11-14-10-15(16)13(3)12(14)2/h14-16H,2-11H2,1H3
InChIKeyBUCLATBPEHVBCR-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.41
Rot. Bonds3

About (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate

(1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59130084) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate
PubChem CID59130084
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate
SMILESC=C1C(=C)C2CC1CC2C(=O)OC1(CC)CCCCC1
InChIInChI=1S/C18H26O2/c1-4-18(8-6-5-7-9-18)20-17(19)16-11-14-10-15(16)13(3)12(14)2/h14-16H,2-11H2,1H3
InChIKeyBUCLATBPEHVBCR-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate (CID 59130084) is (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate is C=C1C(=C)C2CC1CC2C(=O)OC1(CC)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is BUCLATBPEHVBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-18(8-6-5-7-9-18)20-17(19)16-11-14-10-15(16)13(3)12(14)2/h14-16H,2-11H2,1H3.
What are the key properties of (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate?
(1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 274.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) 5,6-dimethylidenebicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59130084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).