2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate

C11H18O3 — CID 121262827

IUPAC2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CC2CCC1C2
InChIInChI=1S/C11H18O3/c1-2-13-11(12)14-7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKeyWJFHCRPEISCLCQ-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.60
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate

2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate (PubChem CID 121262827) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate
PubChem CID121262827
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate
SMILESCCOC(=O)OCC1CC2CCC1C2
InChIInChI=1S/C11H18O3/c1-2-13-11(12)14-7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3
InChIKeyWJFHCRPEISCLCQ-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate (CID 121262827) is 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate is CCOC(=O)OCC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate?
The InChIKey is WJFHCRPEISCLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-13-11(12)14-7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate?
2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate has a molecular weight of 198.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylmethyl ethyl carbonate is sourced from PubChem (CID 121262827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).