cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate

C15H22O2 — CID 59126206

IUPACcyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
SMILESCC1C2CC3C1C3(C(=O)OC1CCCC1)C2C
InChIInChI=1S/C15H22O2/c1-8-11-7-12-13(8)15(12,9(11)2)14(16)17-10-5-3-4-6-10/h8-13H,3-7H2,1-2H3
InChIKeyREFYHULTDXQYIQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.01
Rot. Bonds2

About cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate

cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate (PubChem CID 59126206) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
PubChem CID59126206
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namecyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate
SMILESCC1C2CC3C1C3(C(=O)OC1CCCC1)C2C
InChIInChI=1S/C15H22O2/c1-8-11-7-12-13(8)15(12,9(11)2)14(16)17-10-5-3-4-6-10/h8-13H,3-7H2,1-2H3
InChIKeyREFYHULTDXQYIQ-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
The IUPAC name of cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate (CID 59126206) is cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate.
What is the SMILES notation for cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
The canonical SMILES for cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate is CC1C2CC3C1C3(C(=O)OC1CCCC1)C2C.
What is the InChIKey of cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
The InChIKey is REFYHULTDXQYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-8-11-7-12-13(8)15(12,9(11)2)14(16)17-10-5-3-4-6-10/h8-13H,3-7H2,1-2H3.
What are the key properties of cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate?
cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate has a molecular weight of 234.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carboxylate is sourced from PubChem (CID 59126206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).