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'}

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

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Related Compounds

[2-(1-hydroxy-2-methylcyclopropyl)-2-methylpropyl] 2-methylpropanoate
CID 23386758
[3-methyl-2-(2-methylpropanoyloxy)butan-2-yl] 2-methylpropanoate
CID 19901577
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2-methylpropanoate
CID 144560855
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
(3,3-dimethylcyclobutyl) 2-methylpropanoate
CID 130735356
(3,9-dimethyl-9-bicyclo[3.3.1]nonanyl) 2-methylpropanoate
CID 130236042
tert-butyl (1S,2S,5R)-1-amino-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 125426263
(2,7-dimethyl-2-bicyclo[3.3.1]non-5-enyl) 2-methylpropanoate
CID 149369184
(1,1-dihydroxy-2-methylpropyl) 2-methylpropanoate
CID 88512914
(1-hydroxy-2-methylpropan-2-yl) 2-methylpropanoate
CID 123371841
3-[2-(1-adamantyl)propan-2-yloxy]-2-methyl-3-oxopropanoic acid
CID 170442801
[1,1-difluoro-2-[2-(2-methylpropanoyloxy)ethoxy]-2-oxoethyl] 3,7-dimethylbicyclo[3.3.1]nonane-3-carboxylate
CID 129106203

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).