ethane;[(Z)-pent-2-en-3-yl] acetate

C9H18O2 — CID 142062828

IUPACethane;[(Z)-pent-2-en-3-yl] acetate
SMILESC/C=C(/CC)OC(C)=O.CC
InChIInChI=1S/C7H12O2.C2H6/c1-4-7(5-2)9-6(3)8;1-2/h4H,5H2,1-3H3;1-2H3/b7-4-;
InChIKeyYEJXTVZGVDXIBP-ZULQGGHCSA-N
MW158.24 g/mol
LogP2.89
Rot. Bonds2

About ethane;[(Z)-pent-2-en-3-yl] acetate

ethane;[(Z)-pent-2-en-3-yl] acetate (PubChem CID 142062828) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is ethane;[(Z)-pent-2-en-3-yl] acetate.

Molecular Properties

Compound Nameethane;[(Z)-pent-2-en-3-yl] acetate
PubChem CID142062828
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Nameethane;[(Z)-pent-2-en-3-yl] acetate
SMILESC/C=C(/CC)OC(C)=O.CC
InChIInChI=1S/C7H12O2.C2H6/c1-4-7(5-2)9-6(3)8;1-2/h4H,5H2,1-3H3;1-2H3/b7-4-;
InChIKeyYEJXTVZGVDXIBP-ZULQGGHCSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;[(Z)-pent-2-en-3-yl] 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 ethane;[(Z)-pent-2-en-3-yl] acetate?
The IUPAC name of ethane;[(Z)-pent-2-en-3-yl] acetate (CID 142062828) is ethane;[(Z)-pent-2-en-3-yl] acetate.
What is the SMILES notation for ethane;[(Z)-pent-2-en-3-yl] acetate?
The canonical SMILES for ethane;[(Z)-pent-2-en-3-yl] acetate is C/C=C(/CC)OC(C)=O.CC.
What is the InChIKey of ethane;[(Z)-pent-2-en-3-yl] acetate?
The InChIKey is YEJXTVZGVDXIBP-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H12O2.C2H6/c1-4-7(5-2)9-6(3)8;1-2/h4H,5H2,1-3H3;1-2H3/b7-4-;.
What are the key properties of ethane;[(Z)-pent-2-en-3-yl] acetate?
ethane;[(Z)-pent-2-en-3-yl] acetate has a molecular weight of 158.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(Z)-pent-2-en-3-yl] acetate is sourced from PubChem (CID 142062828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).