3,7,10-trimethyldodeca-2,4,6,8-tetraenal

C15H22O — CID 71405843

IUPAC3,7,10-trimethyldodeca-2,4,6,8-tetraenal
SMILESCCC(C)C=CC(C)=CC=CC(C)=CC=O
InChIInChI=1S/C15H22O/c1-5-13(2)9-10-14(3)7-6-8-15(4)11-12-16/h6-13H,5H2,1-4H3
InChIKeyOEPQQYMYDSJBCZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.24
Rot. Bonds6

About 3,7,10-trimethyldodeca-2,4,6,8-tetraenal

3,7,10-trimethyldodeca-2,4,6,8-tetraenal (PubChem CID 71405843) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,7,10-trimethyldodeca-2,4,6,8-tetraenal.

Molecular Properties

Compound Name3,7,10-trimethyldodeca-2,4,6,8-tetraenal
PubChem CID71405843
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3,7,10-trimethyldodeca-2,4,6,8-tetraenal
SMILESCCC(C)C=CC(C)=CC=CC(C)=CC=O
InChIInChI=1S/C15H22O/c1-5-13(2)9-10-14(3)7-6-8-15(4)11-12-16/h6-13H,5H2,1-4H3
InChIKeyOEPQQYMYDSJBCZ-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.24
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

Citral
CID 638011
Orange Oil
CID 62161
Farnesal
CID 68150
Neral
CID 643779
alpha-Sinensal
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beta-SINENSAL
CID 5281535
2,4-Octadienal, (2E,4E)-
CID 5283329
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
CID 5280598
2-Isopropyl-5-methyl-2-hexenal
CID 37066
Bixin aldehyde
CID 10215446
2-Isopropyl-5-methyl-hex-2-enal, (2Z)-
CID 5892299
3,7-Dimethylocta-2,6-Dienal
CID 8843

Frequently Asked Questions

What is the IUPAC name of 3,7,10-trimethyldodeca-2,4,6,8-tetraenal?
The IUPAC name of 3,7,10-trimethyldodeca-2,4,6,8-tetraenal (CID 71405843) is 3,7,10-trimethyldodeca-2,4,6,8-tetraenal.
What is the SMILES notation for 3,7,10-trimethyldodeca-2,4,6,8-tetraenal?
The canonical SMILES for 3,7,10-trimethyldodeca-2,4,6,8-tetraenal is CCC(C)C=CC(C)=CC=CC(C)=CC=O.
What is the InChIKey of 3,7,10-trimethyldodeca-2,4,6,8-tetraenal?
The InChIKey is OEPQQYMYDSJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-13(2)9-10-14(3)7-6-8-15(4)11-12-16/h6-13H,5H2,1-4H3.
What are the key properties of 3,7,10-trimethyldodeca-2,4,6,8-tetraenal?
3,7,10-trimethyldodeca-2,4,6,8-tetraenal has a molecular weight of 218.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10-trimethyldodeca-2,4,6,8-tetraenal is sourced from PubChem (CID 71405843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).