(5E)-5-ethoxy-4-methylideneocta-5,7-dienal

C11H16O2 — CID 143274841

IUPAC(5E)-5-ethoxy-4-methylideneocta-5,7-dienal
SMILESC=C/C=C(/OCC)C(=C)CCC=O
InChIInChI=1S/C11H16O2/c1-4-7-11(13-5-2)10(3)8-6-9-12/h4,7,9H,1,3,5-6,8H2,2H3/b11-7+
InChIKeyGXHRGEMDXMUPTC-YRNVUSSQSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds7

About (5E)-5-ethoxy-4-methylideneocta-5,7-dienal

(5E)-5-ethoxy-4-methylideneocta-5,7-dienal (PubChem CID 143274841) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (5E)-5-ethoxy-4-methylideneocta-5,7-dienal.

Molecular Properties

Compound Name(5E)-5-ethoxy-4-methylideneocta-5,7-dienal
PubChem CID143274841
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(5E)-5-ethoxy-4-methylideneocta-5,7-dienal
SMILESC=C/C=C(/OCC)C(=C)CCC=O
InChIInChI=1S/C11H16O2/c1-4-7-11(13-5-2)10(3)8-6-9-12/h4,7,9H,1,3,5-6,8H2,2H3/b11-7+
InChIKeyGXHRGEMDXMUPTC-YRNVUSSQSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 89093143
6-[(3E)-2-methylpenta-1,3-dien-3-yl]oxyhexanal
CID 89202893
2-[2,6-Dimethyl-6-(4-methylpent-3-enyl)pyran-3-yl]acetaldehyde
CID 89853012
4-(6-Methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 91035633
5-(Cyclohexa-1,3-dien-1-ylmethoxy)pentanal
CID 118480311
(4E,6Z)-9-methoxy-4-[1-(3-prop-2-enoxybut-3-enoxy)ethenyl]-6-prop-1-en-2-ylnona-4,6-dienal
CID 122526993
4-(4-Methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-diene-1-carbaldehyde
CID 123170513
3-(2H-pyran-3-yl)propanal
CID 140707983
ethane;(5Z,6E)-6-methoxy-5-(2-methoxyethylidene)nona-6,8-dien-2-one
CID 142975054
ethane;(4E,6Z)-4-ethenyl-3-[(3Z,5E)-5-methoxyocta-1,3,5,7-tetraen-4-yl]octa-4,6-dienal
CID 144552285
2,4-Dimethoxycyclohexa-1,3-diene-1-carbaldehyde
CID 144849673
5-Ethoxyocta-5,7-dienal
CID 153868388

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethoxy-4-methylideneocta-5,7-dienal?
The IUPAC name of (5E)-5-ethoxy-4-methylideneocta-5,7-dienal (CID 143274841) is (5E)-5-ethoxy-4-methylideneocta-5,7-dienal.
What is the SMILES notation for (5E)-5-ethoxy-4-methylideneocta-5,7-dienal?
The canonical SMILES for (5E)-5-ethoxy-4-methylideneocta-5,7-dienal is C=C/C=C(/OCC)C(=C)CCC=O.
What is the InChIKey of (5E)-5-ethoxy-4-methylideneocta-5,7-dienal?
The InChIKey is GXHRGEMDXMUPTC-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-7-11(13-5-2)10(3)8-6-9-12/h4,7,9H,1,3,5-6,8H2,2H3/b11-7+.
What are the key properties of (5E)-5-ethoxy-4-methylideneocta-5,7-dienal?
(5E)-5-ethoxy-4-methylideneocta-5,7-dienal has a molecular weight of 180.25 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethoxy-4-methylideneocta-5,7-dienal is sourced from PubChem (CID 143274841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).