2-(butan-2-yloxymethoxy)prop-2-enyl acetate

C10H18O4 — CID 59253891

IUPAC2-(butan-2-yloxymethoxy)prop-2-enyl acetate
SMILESC=C(COC(C)=O)OCOC(C)CC
InChIInChI=1S/C10H18O4/c1-5-8(2)13-7-14-9(3)6-12-10(4)11/h8H,3,5-7H2,1-2,4H3
InChIKeyFZTVMTMBCCQXEW-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.85
Rot. Bonds7

About 2-(butan-2-yloxymethoxy)prop-2-enyl acetate

2-(butan-2-yloxymethoxy)prop-2-enyl acetate (PubChem CID 59253891) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(butan-2-yloxymethoxy)prop-2-enyl acetate.

Molecular Properties

Compound Name2-(butan-2-yloxymethoxy)prop-2-enyl acetate
PubChem CID59253891
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(butan-2-yloxymethoxy)prop-2-enyl acetate
SMILESC=C(COC(C)=O)OCOC(C)CC
InChIInChI=1S/C10H18O4/c1-5-8(2)13-7-14-9(3)6-12-10(4)11/h8H,3,5-7H2,1-2,4H3
InChIKeyFZTVMTMBCCQXEW-UHFFFAOYSA-N
XLogP1.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(butan-2-yloxymethoxy)prop-2-enyl acetate 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 2-(butan-2-yloxymethoxy)prop-2-enyl acetate?
The IUPAC name of 2-(butan-2-yloxymethoxy)prop-2-enyl acetate (CID 59253891) is 2-(butan-2-yloxymethoxy)prop-2-enyl acetate.
What is the SMILES notation for 2-(butan-2-yloxymethoxy)prop-2-enyl acetate?
The canonical SMILES for 2-(butan-2-yloxymethoxy)prop-2-enyl acetate is C=C(COC(C)=O)OCOC(C)CC.
What is the InChIKey of 2-(butan-2-yloxymethoxy)prop-2-enyl acetate?
The InChIKey is FZTVMTMBCCQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-8(2)13-7-14-9(3)6-12-10(4)11/h8H,3,5-7H2,1-2,4H3.
What are the key properties of 2-(butan-2-yloxymethoxy)prop-2-enyl acetate?
2-(butan-2-yloxymethoxy)prop-2-enyl acetate has a molecular weight of 202.25 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethoxy)prop-2-enyl acetate is sourced from PubChem (CID 59253891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).