2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal

C10H12O2 — CID 90757380

IUPAC2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal
SMILESC=CC=CC(C=O)=C(C=C)OC
InChIInChI=1S/C10H12O2/c1-4-6-7-9(8-11)10(5-2)12-3/h4-8H,1-2H2,3H3
InChIKeyFBQBODUUCMDCQZ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.01
Rot. Bonds5

About 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal

2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal (PubChem CID 90757380) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal.

Molecular Properties

Compound Name2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal
PubChem CID90757380
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal
SMILESC=CC=CC(C=O)=C(C=C)OC
InChIInChI=1S/C10H12O2/c1-4-6-7-9(8-11)10(5-2)12-3/h4-8H,1-2H2,3H3
InChIKeyFBQBODUUCMDCQZ-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.01
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

(E)-4-fluoro-2-[(E)-1-methoxyprop-1-enyl]pent-2-enal
CID 88063959
2-Methoxy-4-(trifluoromethyl)cyclohepta-1,3,6-triene-1-carbaldehyde
CID 142176181
7-Fluoro-2-methoxycyclohepta-1,4,6-triene-1-carbaldehyde
CID 143425312
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dienal
CID 143610538
(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
(3E)-2-methyl-3-propan-2-yloxyhexa-1,3,5-trien-1-one
CID 134874439
7-Fluoro-3,4-dimethoxycyclohepta-1,3,6-triene-1-carbaldehyde
CID 143712837
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dienal
CID 155598831
(2Z,4E,6Z)-4-fluoro-5-methoxy-3-(2-methylprop-1-enyl)-2-[(E)-pent-1-enyl]nona-2,4,6,8-tetraenal
CID 163390902
(2Z,4E)-2-[(E)-2-methoxyprop-1-enyl]-3,7-dimethylocta-2,4,6-trienal
CID 177423103

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal?
The IUPAC name of 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal (CID 90757380) is 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal.
What is the SMILES notation for 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal?
The canonical SMILES for 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal is C=CC=CC(C=O)=C(C=C)OC.
What is the InChIKey of 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal?
The InChIKey is FBQBODUUCMDCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-6-7-9(8-11)10(5-2)12-3/h4-8H,1-2H2,3H3.
What are the key properties of 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal?
2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal has a molecular weight of 164.20 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyprop-2-enylidene)hexa-3,5-dienal is sourced from PubChem (CID 90757380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).