3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal

C15H20O — CID 54453652

IUPAC3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
SMILESCC(C)=CC=CC(C)=CC=CC(C)=CC=O
InChIInChI=1S/C15H20O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-12H,1-4H3
InChIKeyWWRGFLIMFQYXRS-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.16
Rot. Bonds5

About 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal

3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal (PubChem CID 54453652) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
PubChem CID54453652
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
SMILESCC(C)=CC=CC(C)=CC=CC(C)=CC=O
InChIInChI=1S/C15H20O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-12H,1-4H3
InChIKeyWWRGFLIMFQYXRS-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial
CID 102290425
4-methylocta-2,4,6-trienedial
CID 74956406
3,7,10-trimethyldodeca-2,4,6,8-tetraenal
CID 71405843
3,7,11-trimethyldodeca-2,4,6,10-tetraenal
CID 549769
9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal
CID 71344417
(2E)-3,7-dimethyl-9-(2,4,5-trimethylthiophen-3-yl)nona-2,4,6,8-tetraenal
CID 173437239
(2E)-9-[4-(dimethylamino)phenyl]-3,7-dimethylnona-2,4,6,8-tetraenal
CID 173304585
(2E)-5-methylhexa-2,4-dienal
CID 11829387
(2Z,4E,6E,8E)-9-[(3S)-3-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal
CID 177476454
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
CID 6029647
(2E,4E,6E,8E)-3,7-dimethyl-9-(3,4,5-trimethoxyphenyl)nona-2,4,6,8-tetraenal
CID 110204055

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
The IUPAC name of 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal (CID 54453652) is 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
The canonical SMILES for 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal is CC(C)=CC=CC(C)=CC=CC(C)=CC=O.
What is the InChIKey of 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
The InChIKey is WWRGFLIMFQYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-12H,1-4H3.
What are the key properties of 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal has a molecular weight of 216.32 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 54453652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).