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

C15H20O — CID 6481133

IUPAC(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=O
InChIInChI=1S/C15H20O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-12H,1-4H3/b8-5+,10-6+,14-9+,15-11+
InChIKeyWWRGFLIMFQYXRS-BZCYSDSTSA-N
MW216.32 g/mol
LogP4.16
Rot. Bonds5

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

(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal (PubChem CID 6481133) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
PubChem CID6481133
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=O
InChIInChI=1S/C15H20O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-12H,1-4H3/b8-5+,10-6+,14-9+,15-11+
InChIKeyWWRGFLIMFQYXRS-BZCYSDSTSA-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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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
The IUPAC name of (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal (CID 6481133) is (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal.
What is the SMILES notation for (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
The canonical SMILES for (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal is CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=O.
What is the InChIKey of (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
The InChIKey is WWRGFLIMFQYXRS-BZCYSDSTSA-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/b8-5+,10-6+,14-9+,15-11+.
What are the key properties of (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal?
(2E,4E,6E,8E)-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 (2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 6481133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).