(1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate

C14H20O3 — CID 89094137

IUPAC(1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC1=C(C)C2CCC1(C)C2
InChIInChI=1S/C14H20O3/c1-9(2)13(15)17-8-16-12-10(3)11-5-6-14(12,4)7-11/h11H,1,5-8H2,2-4H3
InChIKeyTVQITJHUXWNERR-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.17
Rot. Bonds4

About (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate

(1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate (PubChem CID 89094137) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate
PubChem CID89094137
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCOC1=C(C)C2CCC1(C)C2
InChIInChI=1S/C14H20O3/c1-9(2)13(15)17-8-16-12-10(3)11-5-6-14(12,4)7-11/h11H,1,5-8H2,2-4H3
InChIKeyTVQITJHUXWNERR-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate?
The IUPAC name of (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate (CID 89094137) is (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate?
The canonical SMILES for (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOC1=C(C)C2CCC1(C)C2.
What is the InChIKey of (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate?
The InChIKey is TVQITJHUXWNERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9(2)13(15)17-8-16-12-10(3)11-5-6-14(12,4)7-11/h11H,1,5-8H2,2-4H3.
What are the key properties of (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate?
(1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate has a molecular weight of 236.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2-bicyclo[2.2.1]hept-2-enyl)oxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 89094137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).