(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal

C15H22O — CID 118976608

IUPAC(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
SMILESC=C/C(C)=C/C/C=C(\C)CC/C=C(/C)C=O
InChIInChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11-
InChIKeyPFSTYGCNVAVZBK-VCIUYEIQSA-N
MW218.34 g/mol
LogP4.38
Rot. Bonds7

About (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal

(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal (PubChem CID 118976608) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal.

Molecular Properties

Compound Name(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
PubChem CID118976608
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
SMILESC=C/C(C)=C/C/C=C(\C)CC/C=C(/C)C=O
InChIInChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11-
InChIKeyPFSTYGCNVAVZBK-VCIUYEIQSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal with MolForge

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Related Compounds

(2E,6E)-2,6-dimethylocta-2,6-dienal
CID 19035325
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
CID 22236783
3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
2,6,11,15-tetramethyl-8-sulfonylhexadeca-2,6,10,14-tetraenedial
CID 142689055
(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile
CID 165348510
methyl (2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoate
CID 24976790
(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal?
The IUPAC name of (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal (CID 118976608) is (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal.
What is the SMILES notation for (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal?
The canonical SMILES for (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal is C=C/C(C)=C/C/C=C(\C)CC/C=C(/C)C=O.
What is the InChIKey of (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal?
The InChIKey is PFSTYGCNVAVZBK-VCIUYEIQSA-N. The full InChI is InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11-.
What are the key properties of (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal?
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal has a molecular weight of 218.34 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal is sourced from PubChem (CID 118976608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).