(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal

C20H24O4 — CID 110204055

IUPAC(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal
SMILESCOc1cc(/C=C/C(C)=C/C=C/C(C)=C/C=O)cc(OC)c1OC
InChIInChI=1S/C20H24O4/c1-15(7-6-8-16(2)11-12-21)9-10-17-13-18(22-3)20(24-5)19(14-17)23-4/h6-14H,1-5H3/b8-6+,10-9+,15-7+,16-11+
InChIKeyRJZYQSMWCGDUHV-DAWLFQHYSA-N
MW328.41 g/mol
LogP4.37
Rot. Bonds8

About (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal

(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal (PubChem CID 110204055) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal
PubChem CID110204055
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal
SMILESCOc1cc(/C=C/C(C)=C/C=C/C(C)=C/C=O)cc(OC)c1OC
InChIInChI=1S/C20H24O4/c1-15(7-6-8-16(2)11-12-21)9-10-17-13-18(22-3)20(24-5)19(14-17)23-4/h6-14H,1-5H3/b8-6+,10-9+,15-7+,16-11+
InChIKeyRJZYQSMWCGDUHV-DAWLFQHYSA-N
XLogP4.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal with MolForge

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Related Compounds

(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal
CID 51040851
CID 46855338
CID 46855338
3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
CID 54453652
(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoic acid
CID 15257506
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
methyl 2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enoate
CID 71350536
(2E)-9-[4-(dimethylamino)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenal
CID 173304585
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
1-sulfonyl-4-(3,4,5-trimethoxyphenyl)but-3-en-2-one
CID 173037255
(1E,4E,6E)-5-hydroxy-1,7-bis(3,4,5-trimethoxyphenyl)hepta-1,4,6-trien-3-one
CID 137360965
(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 73438577

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal?
The IUPAC name of (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal (CID 110204055) is (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal.
What is the SMILES notation for (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal?
The canonical SMILES for (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal is COc1cc(/C=C/C(C)=C/C=C/C(C)=C/C=O)cc(OC)c1OC.
What is the InChIKey of (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal?
The InChIKey is RJZYQSMWCGDUHV-DAWLFQHYSA-N. The full InChI is InChI=1S/C20H24O4/c1-15(7-6-8-16(2)11-12-21)9-10-17-13-18(22-3)20(24-5)19(14-17)23-4/h6-14H,1-5H3/b8-6+,10-9+,15-7+,16-11+.
What are the key properties of (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal?
(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal has a molecular weight of 328.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal is sourced from PubChem (CID 110204055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).