methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C14H20O2 — CID 154413761

IUPACmethyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC=C(C)C12CC(CC1C(=O)OC)C(C)=C2C
InChIInChI=1S/C14H20O2/c1-8(2)14-7-11(9(3)10(14)4)6-12(14)13(15)16-5/h11-12H,1,6-7H2,2-5H3
InChIKeyLSOZMLDSSAYWLY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.10
Rot. Bonds2

About methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate

methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 154413761) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID154413761
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namemethyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESC=C(C)C12CC(CC1C(=O)OC)C(C)=C2C
InChIInChI=1S/C14H20O2/c1-8(2)14-7-11(9(3)10(14)4)6-12(14)13(15)16-5/h11-12H,1,6-7H2,2-5H3
InChIKeyLSOZMLDSSAYWLY-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.10
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 methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 154413761) is methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate is C=C(C)C12CC(CC1C(=O)OC)C(C)=C2C.
What is the InChIKey of methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is LSOZMLDSSAYWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)14-7-11(9(3)10(14)4)6-12(14)13(15)16-5/h11-12H,1,6-7H2,2-5H3.
What are the key properties of methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 220.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dimethyl-1-prop-1-en-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 154413761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).