2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate

C17H28O2 — CID 126494477

IUPAC2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate
SMILESCC1CC2=C(CC2)C(C)(C(C)(C)OC(=O)C(C)C)C1
InChIInChI=1S/C17H28O2/c1-11(2)15(18)19-16(4,5)17(6)10-12(3)9-13-7-8-14(13)17/h11-12H,7-10H2,1-6H3
InChIKeyBYPVGZVFJCTDQC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.49
Rot. Bonds3

About 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate

2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate (PubChem CID 126494477) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate.

Molecular Properties

Compound Name2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate
PubChem CID126494477
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate
SMILESCC1CC2=C(CC2)C(C)(C(C)(C)OC(=O)C(C)C)C1
InChIInChI=1S/C17H28O2/c1-11(2)15(18)19-16(4,5)17(6)10-12(3)9-13-7-8-14(13)17/h11-12H,7-10H2,1-6H3
InChIKeyBYPVGZVFJCTDQC-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.49
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 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate?
The IUPAC name of 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate (CID 126494477) is 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate.
What is the SMILES notation for 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate?
The canonical SMILES for 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate is CC1CC2=C(CC2)C(C)(C(C)(C)OC(=O)C(C)C)C1.
What is the InChIKey of 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate?
The InChIKey is BYPVGZVFJCTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11(2)15(18)19-16(4,5)17(6)10-12(3)9-13-7-8-14(13)17/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate?
2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate has a molecular weight of 264.41 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-2-bicyclo[4.2.0]oct-1(6)-enyl)propan-2-yl 2-methylpropanoate is sourced from PubChem (CID 126494477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).