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

C15H26O2 — CID 155777628

IUPACmethyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate
SMILESC=C(C)C1CC(C(C)(CC)C(=O)OC)C1(C)C
InChIInChI=1S/C15H26O2/c1-8-15(6,13(16)17-7)12-9-11(10(2)3)14(12,4)5/h11-12H,2,8-9H2,1,3-7H3
InChIKeyNVUDLYLKWUQUTI-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.81
Rot. Bonds4

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

methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate (PubChem CID 155777628) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate
PubChem CID155777628
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namemethyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate
SMILESC=C(C)C1CC(C(C)(CC)C(=O)OC)C1(C)C
InChIInChI=1S/C15H26O2/c1-8-15(6,13(16)17-7)12-9-11(10(2)3)14(12,4)5/h11-12H,2,8-9H2,1,3-7H3
InChIKeyNVUDLYLKWUQUTI-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
The IUPAC name of methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate (CID 155777628) is methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
The canonical SMILES for methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate is C=C(C)C1CC(C(C)(CC)C(=O)OC)C1(C)C.
What is the InChIKey of methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
The InChIKey is NVUDLYLKWUQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-8-15(6,13(16)17-7)12-9-11(10(2)3)14(12,4)5/h11-12H,2,8-9H2,1,3-7H3.
What are the key properties of methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate?
methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)-2-methylbutanoate is sourced from PubChem (CID 155777628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).