[(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate

C23H30O2 — CID 131751268

IUPAC[(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate
SMILESC=C1C2CCC(C2)C1(C)CC/C=C(/C)COC(=O)Cc1ccccc1
InChIInChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3/b17-8-
InChIKeyFIZFZQIBGCHOJY-IUXPMGMMSA-N
MW338.49 g/mol
LogP5.49
Rot. Bonds7

About [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate

[(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate (PubChem CID 131751268) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate.

Molecular Properties

Compound Name[(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate
PubChem CID131751268
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name[(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate
SMILESC=C1C2CCC(C2)C1(C)CC/C=C(/C)COC(=O)Cc1ccccc1
InChIInChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3/b17-8-
InChIKeyFIZFZQIBGCHOJY-IUXPMGMMSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate?
The IUPAC name of [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate (CID 131751268) is [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate.
What is the SMILES notation for [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate?
The canonical SMILES for [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate is C=C1C2CCC(C2)C1(C)CC/C=C(/C)COC(=O)Cc1ccccc1.
What is the InChIKey of [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate?
The InChIKey is FIZFZQIBGCHOJY-IUXPMGMMSA-N. The full InChI is InChI=1S/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3/b17-8-.
What are the key properties of [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate?
[(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate has a molecular weight of 338.49 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate is sourced from PubChem (CID 131751268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).