5-methoxy-2-methylidenehexa-3,5-dienal

C8H10O2 — CID 90916974

IUPAC5-methoxy-2-methylidenehexa-3,5-dienal
SMILESC=C(C=O)C=CC(=C)OC
InChIInChI=1S/C8H10O2/c1-7(6-9)4-5-8(2)10-3/h4-6H,1-2H2,3H3
InChIKeyBTOMSKHVFCMXBE-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.46
Rot. Bonds4

About 5-methoxy-2-methylidenehexa-3,5-dienal

5-methoxy-2-methylidenehexa-3,5-dienal (PubChem CID 90916974) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methoxy-2-methylidenehexa-3,5-dienal.

Molecular Properties

Compound Name5-methoxy-2-methylidenehexa-3,5-dienal
PubChem CID90916974
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-methoxy-2-methylidenehexa-3,5-dienal
SMILESC=C(C=O)C=CC(=C)OC
InChIInChI=1S/C8H10O2/c1-7(6-9)4-5-8(2)10-3/h4-6H,1-2H2,3H3
InChIKeyBTOMSKHVFCMXBE-UHFFFAOYSA-N
XLogP1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.46
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,3E)-6-methyl-2-(2-oxoethylidene)hepta-3,5-dienoate
CID 10559713
(E)-4-fluoro-2-[(E)-1-methoxyprop-1-enyl]pent-2-enal
CID 88063959
4-Fluoro-4-methoxycyclohexa-1,5-diene-1-carbaldehyde
CID 142735910
4-(1-Ethoxyethenyl)-3-fluorocyclohepta-1,3,6-triene-1-carbaldehyde
CID 143545325
(3E)-5-methoxy-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienal
CID 143962385
(3E)-3-fluoro-5-methoxy-2-methylidenehexa-3,5-dienal
CID 144321574
(3E)-2-methylidene-4-(trifluoromethoxy)hexa-3,5-dienal;prop-1-ene
CID 144424997
2,2-Dimethyl-2h-pyran-5-carbaldehyde
CID 14116468
methyl (2E,4Z,6S)-2,6-dimethyl-7-oxohepta-2,4-dienoate
CID 24881626
methyl (2E,4Z)-4,5-dimethyl-6-oxohexa-2,4-dienoate
CID 135015170
7-Fluoro-3,4-dimethoxycyclohepta-1,3,6-triene-1-carbaldehyde
CID 143712837
(3E)-3-(difluoromethyl)-5-methoxy-2-methylidenehexa-3,5-dienal
CID 143902962

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylidenehexa-3,5-dienal?
The IUPAC name of 5-methoxy-2-methylidenehexa-3,5-dienal (CID 90916974) is 5-methoxy-2-methylidenehexa-3,5-dienal.
What is the SMILES notation for 5-methoxy-2-methylidenehexa-3,5-dienal?
The canonical SMILES for 5-methoxy-2-methylidenehexa-3,5-dienal is C=C(C=O)C=CC(=C)OC.
What is the InChIKey of 5-methoxy-2-methylidenehexa-3,5-dienal?
The InChIKey is BTOMSKHVFCMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-7(6-9)4-5-8(2)10-3/h4-6H,1-2H2,3H3.
What are the key properties of 5-methoxy-2-methylidenehexa-3,5-dienal?
5-methoxy-2-methylidenehexa-3,5-dienal has a molecular weight of 138.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylidenehexa-3,5-dienal is sourced from PubChem (CID 90916974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).