ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate

C14H22O5 — CID 102286436

IUPACethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate
SMILESC/C=C(/C=C\COC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H22O5/c1-6-11(12(15)17-7-2)9-8-10-18-13(16)19-14(3,4)5/h6,8-9H,7,10H2,1-5H3/b9-8-,11-6-
InChIKeyDKMARMBFSGUMNY-WSXQFLIHSA-N
MW270.32 g/mol
LogP3.00
Rot. Bonds5

About ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate

ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate (PubChem CID 102286436) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate.

Molecular Properties

Compound Nameethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate
PubChem CID102286436
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Nameethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate
SMILESC/C=C(/C=C\COC(=O)OC(C)(C)C)C(=O)OCC
InChIInChI=1S/C14H22O5/c1-6-11(12(15)17-7-2)9-8-10-18-13(16)19-14(3,4)5/h6,8-9H,7,10H2,1-5H3/b9-8-,11-6-
InChIKeyDKMARMBFSGUMNY-WSXQFLIHSA-N
XLogP3.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate 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 ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate?
The IUPAC name of ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate (CID 102286436) is ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate.
What is the SMILES notation for ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate?
The canonical SMILES for ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate is C/C=C(/C=C\COC(=O)OC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate?
The InChIKey is DKMARMBFSGUMNY-WSXQFLIHSA-N. The full InChI is InChI=1S/C14H22O5/c1-6-11(12(15)17-7-2)9-8-10-18-13(16)19-14(3,4)5/h6,8-9H,7,10H2,1-5H3/b9-8-,11-6-.
What are the key properties of ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate?
ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate has a molecular weight of 270.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate is sourced from PubChem (CID 102286436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).