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

C15H26O2 — CID 155250138

IUPAC(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate
SMILESC=C(C)C1CC(COC(=O)CC(C)C)C1(C)C
InChIInChI=1S/C15H26O2/c1-10(2)7-14(16)17-9-12-8-13(11(3)4)15(12,5)6/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyHYFBOQMKAZOAOW-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.81
Rot. Bonds5

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

(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate (PubChem CID 155250138) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate.

Molecular Properties

Compound Name(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate
PubChem CID155250138
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate
SMILESC=C(C)C1CC(COC(=O)CC(C)C)C1(C)C
InChIInChI=1S/C15H26O2/c1-10(2)7-14(16)17-9-12-8-13(11(3)4)15(12,5)6/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyHYFBOQMKAZOAOW-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'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate?
The IUPAC name of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate (CID 155250138) is (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate.
What is the SMILES notation for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate?
The canonical SMILES for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate is C=C(C)C1CC(COC(=O)CC(C)C)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate?
The InChIKey is HYFBOQMKAZOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)7-14(16)17-9-12-8-13(11(3)4)15(12,5)6/h10,12-13H,3,7-9H2,1-2,4-6H3.
What are the key properties of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate?
(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-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 (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbutanoate is sourced from PubChem (CID 155250138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).