2-acetyloxyethyl acetate;buta-1,3-diene

C10H16O4 — CID 87510767

IUPAC2-acetyloxyethyl acetate;buta-1,3-diene
SMILESC=CC=C.CC(=O)OCCOC(C)=O
InChIInChI=1S/C6H10O4.C4H6/c1-5(7)9-3-4-10-6(2)8;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2
InChIKeyAFFLFOWUJZWLSW-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.47
Rot. Bonds4

About 2-acetyloxyethyl acetate;buta-1,3-diene

2-acetyloxyethyl acetate;buta-1,3-diene (PubChem CID 87510767) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-acetyloxyethyl acetate;buta-1,3-diene.

Molecular Properties

Compound Name2-acetyloxyethyl acetate;buta-1,3-diene
PubChem CID87510767
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-acetyloxyethyl acetate;buta-1,3-diene
SMILESC=CC=C.CC(=O)OCCOC(C)=O
InChIInChI=1S/C6H10O4.C4H6/c1-5(7)9-3-4-10-6(2)8;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2
InChIKeyAFFLFOWUJZWLSW-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-acetyloxyethyl acetate;buta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

hex-5-enyl acetate
CID 537536
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
nonadec-18-enyl acetate
CID 87443633
pentadec-14-enyl acetate
CID 87443745
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
CID 158105337
CID 158105337
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
2-(2-ethenoxypropan-2-yloxy)ethyl acetate
CID 139969474

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl acetate;buta-1,3-diene?
The IUPAC name of 2-acetyloxyethyl acetate;buta-1,3-diene (CID 87510767) is 2-acetyloxyethyl acetate;buta-1,3-diene.
What is the SMILES notation for 2-acetyloxyethyl acetate;buta-1,3-diene?
The canonical SMILES for 2-acetyloxyethyl acetate;buta-1,3-diene is C=CC=C.CC(=O)OCCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl acetate;buta-1,3-diene?
The InChIKey is AFFLFOWUJZWLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H6/c1-5(7)9-3-4-10-6(2)8;1-3-4-2/h3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of 2-acetyloxyethyl acetate;buta-1,3-diene?
2-acetyloxyethyl acetate;buta-1,3-diene has a molecular weight of 200.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl acetate;buta-1,3-diene is sourced from PubChem (CID 87510767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).