(4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H20O4 — CID 68821741

IUPAC(4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(C)CC(COC(=O)C2CC3C=CC2C3)OC1=O
InChIInChI=1S/C15H20O4/c1-15(2)7-11(19-14(15)17)8-18-13(16)12-6-9-3-4-10(12)5-9/h3-4,9-12H,5-8H2,1-2H3
InChIKeyHZRGIRMKWNPAGH-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.08
Rot. Bonds3

About (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

(4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 68821741) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID68821741
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(C)CC(COC(=O)C2CC3C=CC2C3)OC1=O
InChIInChI=1S/C15H20O4/c1-15(2)7-11(19-14(15)17)8-18-13(16)12-6-9-3-4-10(12)5-9/h3-4,9-12H,5-8H2,1-2H3
InChIKeyHZRGIRMKWNPAGH-UHFFFAOYSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 68821741) is (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC1(C)CC(COC(=O)C2CC3C=CC2C3)OC1=O.
What is the InChIKey of (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is HZRGIRMKWNPAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-15(2)7-11(19-14(15)17)8-18-13(16)12-6-9-3-4-10(12)5-9/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-5-oxooxolan-2-yl)methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 68821741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).