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

C10H14O2 — CID 143274837

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

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

(5E)-5-methoxy-4-methylideneocta-5,7-dienal (PubChem CID 143274837) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5E)-5-methoxy-4-methylideneocta-5,7-dienal.

Molecular Properties

Compound Name(5E)-5-methoxy-4-methylideneocta-5,7-dienal
PubChem CID143274837
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5E)-5-methoxy-4-methylideneocta-5,7-dienal
SMILESC=C/C=C(/OC)C(=C)CCC=O
InChIInChI=1S/C10H14O2/c1-4-6-10(12-3)9(2)7-5-8-11/h4,6,8H,1-2,5,7H2,3H3/b10-6+
InChIKeyPJSVNLAOHOHPDM-UXBLZVDNSA-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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-methoxy-4-methylideneocta-5,7-dienal?
The IUPAC name of (5E)-5-methoxy-4-methylideneocta-5,7-dienal (CID 143274837) is (5E)-5-methoxy-4-methylideneocta-5,7-dienal.
What is the SMILES notation for (5E)-5-methoxy-4-methylideneocta-5,7-dienal?
The canonical SMILES for (5E)-5-methoxy-4-methylideneocta-5,7-dienal is C=C/C=C(/OC)C(=C)CCC=O.
What is the InChIKey of (5E)-5-methoxy-4-methylideneocta-5,7-dienal?
The InChIKey is PJSVNLAOHOHPDM-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-6-10(12-3)9(2)7-5-8-11/h4,6,8H,1-2,5,7H2,3H3/b10-6+.
What are the key properties of (5E)-5-methoxy-4-methylideneocta-5,7-dienal?
(5E)-5-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)-5-methoxy-4-methylideneocta-5,7-dienal is sourced from PubChem (CID 143274837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).