methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate

C15H26O2 — CID 175081285

IUPACmethyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate
SMILESC=C(C)C1CC(CCC(C)C(=O)OC)C1(C)C
InChIInChI=1S/C15H26O2/c1-10(2)13-9-12(15(13,4)5)8-7-11(3)14(16)17-6/h11-13H,1,7-9H2,2-6H3
InChIKeyRKHFYZTVRUHVBB-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.81
Rot. Bonds5

About methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate

methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate (PubChem CID 175081285) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate
PubChem CID175081285
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namemethyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate
SMILESC=C(C)C1CC(CCC(C)C(=O)OC)C1(C)C
InChIInChI=1S/C15H26O2/c1-10(2)13-9-12(15(13,4)5)8-7-11(3)14(16)17-6/h11-13H,1,7-9H2,2-6H3
InChIKeyRKHFYZTVRUHVBB-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
The IUPAC name of methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate (CID 175081285) is methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate.
What is the SMILES notation for methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
The canonical SMILES for methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate is C=C(C)C1CC(CCC(C)C(=O)OC)C1(C)C.
What is the InChIKey of methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
The InChIKey is RKHFYZTVRUHVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)13-9-12(15(13,4)5)8-7-11(3)14(16)17-6/h11-13H,1,7-9H2,2-6H3.
What are the key properties of methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate is sourced from PubChem (CID 175081285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).