(5E)-6-methoxy-4-methylideneocta-5,7-dienal

C10H14O2 — CID 143336122

IUPAC(5E)-6-methoxy-4-methylideneocta-5,7-dienal
SMILESC=C/C(=C\C(=C)CCC=O)OC
InChIInChI=1S/C10H14O2/c1-4-10(12-3)8-9(2)6-5-7-11/h4,7-8H,1-2,5-6H2,3H3/b10-8+
InChIKeyWESBABUUZHIXAE-CSKARUKUSA-N
MW166.22 g/mol
LogP2.24
Rot. Bonds6

About (5E)-6-methoxy-4-methylideneocta-5,7-dienal

(5E)-6-methoxy-4-methylideneocta-5,7-dienal (PubChem CID 143336122) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5E)-6-methoxy-4-methylideneocta-5,7-dienal.

Molecular Properties

Compound Name(5E)-6-methoxy-4-methylideneocta-5,7-dienal
PubChem CID143336122
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5E)-6-methoxy-4-methylideneocta-5,7-dienal
SMILESC=C/C(=C\C(=C)CCC=O)OC
InChIInChI=1S/C10H14O2/c1-4-10(12-3)8-9(2)6-5-7-11/h4,7-8H,1-2,5-6H2,3H3/b10-8+
InChIKeyWESBABUUZHIXAE-CSKARUKUSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.24
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

(4Z)-4-fluoro-5-methoxyhepta-4,6-dienal
CID 156173671
2-(3-Fluoro-4-methoxy-6-methylcyclohepta-1,3,5-trien-1-yl)acetaldehyde
CID 143713023
4-Methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 12679832
2-(2H-pyran-4-yl)acetaldehyde
CID 17781525
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
4-Methoxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carbaldehyde
CID 88120255
(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienal
CID 88558378
4-Ethoxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carbaldehyde
CID 88672005
(3Z,5E)-5-methoxyhepta-3,5-dienal
CID 89129591
2-Methoxycyclohexa-1,3-diene-1,3-dicarbaldehyde
CID 89272165
2-(1-Methoxyprop-2-enylidene)hexa-3,5-dienal
CID 90757380
4-Methyl-2-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 90806246

Frequently Asked Questions

What is the IUPAC name of (5E)-6-methoxy-4-methylideneocta-5,7-dienal?
The IUPAC name of (5E)-6-methoxy-4-methylideneocta-5,7-dienal (CID 143336122) is (5E)-6-methoxy-4-methylideneocta-5,7-dienal.
What is the SMILES notation for (5E)-6-methoxy-4-methylideneocta-5,7-dienal?
The canonical SMILES for (5E)-6-methoxy-4-methylideneocta-5,7-dienal is C=C/C(=C\C(=C)CCC=O)OC.
What is the InChIKey of (5E)-6-methoxy-4-methylideneocta-5,7-dienal?
The InChIKey is WESBABUUZHIXAE-CSKARUKUSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-10(12-3)8-9(2)6-5-7-11/h4,7-8H,1-2,5-6H2,3H3/b10-8+.
What are the key properties of (5E)-6-methoxy-4-methylideneocta-5,7-dienal?
(5E)-6-methoxy-4-methylideneocta-5,7-dienal has a molecular weight of 166.22 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-methoxy-4-methylideneocta-5,7-dienal is sourced from PubChem (CID 143336122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).