(2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate

C11H16O3 — CID 156522729

IUPAC(2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate
SMILESC=CC1(OC(=O)OC)CC2CCC1C2
InChIInChI=1S/C11H16O3/c1-3-11(14-10(12)13-2)7-8-4-5-9(11)6-8/h3,8-9H,1,4-7H2,2H3
InChIKeyAFERGOHRKMJAJT-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.51
Rot. Bonds2

About (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate

(2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate (PubChem CID 156522729) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate.

Molecular Properties

Compound Name(2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate
PubChem CID156522729
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate
SMILESC=CC1(OC(=O)OC)CC2CCC1C2
InChIInChI=1S/C11H16O3/c1-3-11(14-10(12)13-2)7-8-4-5-9(11)6-8/h3,8-9H,1,4-7H2,2H3
InChIKeyAFERGOHRKMJAJT-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate?
The IUPAC name of (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate (CID 156522729) is (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate.
What is the SMILES notation for (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate?
The canonical SMILES for (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate is C=CC1(OC(=O)OC)CC2CCC1C2.
What is the InChIKey of (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate?
The InChIKey is AFERGOHRKMJAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-11(14-10(12)13-2)7-8-4-5-9(11)6-8/h3,8-9H,1,4-7H2,2H3.
What are the key properties of (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate?
(2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate has a molecular weight of 196.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-2-bicyclo[2.2.1]heptanyl) methyl carbonate is sourced from PubChem (CID 156522729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).