ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate

C11H16O3 — CID 142095752

IUPACethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate
SMILESC=C/C=C\C(=C/C)COC(=O)OCC
InChIInChI=1S/C11H16O3/c1-4-7-8-10(5-2)9-14-11(12)13-6-3/h4-5,7-8H,1,6,9H2,2-3H3/b8-7-,10-5+
InChIKeyJTQNEHSQVFILAW-GBLFQTLVSA-N
MW196.25 g/mol
LogP2.85
Rot. Bonds5

About ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate

ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate (PubChem CID 142095752) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate.

Molecular Properties

Compound Nameethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate
PubChem CID142095752
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate
SMILESC=C/C=C\C(=C/C)COC(=O)OCC
InChIInChI=1S/C11H16O3/c1-4-7-8-10(5-2)9-14-11(12)13-6-3/h4-5,7-8H,1,6,9H2,2-3H3/b8-7-,10-5+
InChIKeyJTQNEHSQVFILAW-GBLFQTLVSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate 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

ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate
CID 10922384
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
2-(dimethylamino)acetic acid;(3Z,5E)-5-(methoxymethyl)hepta-1,3,5-triene
CID 145170354
CID 175796855
CID 175796855
ethyl (2E)-nona-2,4,6,8-tetraenoate
CID 149162972
diethyl 2-[(3Z)-hexa-1,3,5-trien-2-yl]propanedioate
CID 143898880
ethane;ethyl (3S,4E,5Z)-4-ethylidene-3-hydroxyocta-5,7-dienoate
CID 145420961
(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
CID 146649344
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569

Frequently Asked Questions

What is the IUPAC name of ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate?
The IUPAC name of ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate (CID 142095752) is ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate.
What is the SMILES notation for ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate?
The canonical SMILES for ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate is C=C/C=C\C(=C/C)COC(=O)OCC.
What is the InChIKey of ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate?
The InChIKey is JTQNEHSQVFILAW-GBLFQTLVSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-7-8-10(5-2)9-14-11(12)13-6-3/h4-5,7-8H,1,6,9H2,2-3H3/b8-7-,10-5+.
What are the key properties of ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate?
ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate has a molecular weight of 196.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(2E,3Z)-2-ethylidenehexa-3,5-dienyl] carbonate is sourced from PubChem (CID 142095752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).