[2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate

C15H26O4 — CID 167261909

IUPAC[2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate
SMILESCC(=O)OCOCC(OCCCC(C)C)=C1CCC1
InChIInChI=1S/C15H26O4/c1-12(2)6-5-9-18-15(14-7-4-8-14)10-17-11-19-13(3)16/h12H,4-11H2,1-3H3
InChIKeyFAGUQZHHLIRSAK-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.41
Rot. Bonds9

About [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate

[2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate (PubChem CID 167261909) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate.

Molecular Properties

Compound Name[2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate
PubChem CID167261909
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name[2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate
SMILESCC(=O)OCOCC(OCCCC(C)C)=C1CCC1
InChIInChI=1S/C15H26O4/c1-12(2)6-5-9-18-15(14-7-4-8-14)10-17-11-19-13(3)16/h12H,4-11H2,1-3H3
InChIKeyFAGUQZHHLIRSAK-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate?
The IUPAC name of [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate (CID 167261909) is [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate.
What is the SMILES notation for [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate?
The canonical SMILES for [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate is CC(=O)OCOCC(OCCCC(C)C)=C1CCC1.
What is the InChIKey of [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate?
The InChIKey is FAGUQZHHLIRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-12(2)6-5-9-18-15(14-7-4-8-14)10-17-11-19-13(3)16/h12H,4-11H2,1-3H3.
What are the key properties of [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate?
[2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate has a molecular weight of 270.37 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutylidene-2-(4-methylpentoxy)ethoxy]methyl acetate is sourced from PubChem (CID 167261909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).