methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate

C14H14O3 — CID 23258425

IUPACmethyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate
SMILESC=C1C(=C)C2OC1C1=C2CC(C(=O)OC)=CC1
InChIInChI=1S/C14H14O3/c1-7-8(2)13-11-6-9(14(15)16-3)4-5-10(11)12(7)17-13/h4,12-13H,1-2,5-6H2,3H3
InChIKeyKYVATBCBYPNWCZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.07
Rot. Bonds1

About methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate

methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate (PubChem CID 23258425) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate.

Molecular Properties

Compound Namemethyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate
PubChem CID23258425
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namemethyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate
SMILESC=C1C(=C)C2OC1C1=C2CC(C(=O)OC)=CC1
InChIInChI=1S/C14H14O3/c1-7-8(2)13-11-6-9(14(15)16-3)4-5-10(11)12(7)17-13/h4,12-13H,1-2,5-6H2,3H3
InChIKeyKYVATBCBYPNWCZ-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate?
The IUPAC name of methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate (CID 23258425) is methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate.
What is the SMILES notation for methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate?
The canonical SMILES for methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate is C=C1C(=C)C2OC1C1=C2CC(C(=O)OC)=CC1.
What is the InChIKey of methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate?
The InChIKey is KYVATBCBYPNWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-7-8(2)13-11-6-9(14(15)16-3)4-5-10(11)12(7)17-13/h4,12-13H,1-2,5-6H2,3H3.
What are the key properties of methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate?
methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9,10-dimethylidene-11-oxatricyclo[6.2.1.02,7]undeca-2(7),4-diene-4-carboxylate is sourced from PubChem (CID 23258425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).