(2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal

C16H26O — CID 139299568

IUPAC(2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal
SMILESCC(C)=CCC(C)/C=C(\C)CC/C(C)=C/C=O
InChIInChI=1S/C16H26O/c1-13(2)6-7-15(4)12-16(5)9-8-14(3)10-11-17/h6,10-12,15H,7-9H2,1-5H3/b14-10+,16-12+
InChIKeyLQOWZJPSSOYMQH-FRPPMVQASA-N
MW234.38 g/mol
LogP4.85
Rot. Bonds7

About (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal

(2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal (PubChem CID 139299568) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal.

Molecular Properties

Compound Name(2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal
PubChem CID139299568
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal
SMILESCC(C)=CCC(C)/C=C(\C)CC/C(C)=C/C=O
InChIInChI=1S/C16H26O/c1-13(2)6-7-15(4)12-16(5)9-8-14(3)10-11-17/h6,10-12,15H,7-9H2,1-5H3/b14-10+,16-12+
InChIKeyLQOWZJPSSOYMQH-FRPPMVQASA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.85
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'}

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Related Compounds

3,7-dimethylocta-2,6-dienal
CID 8843
CID 175955047
CID 175955047
(2E)-3,7-dimethylocta-2,6-dienal;prop-2-enal
CID 87385613
(2Z,6E)-3,6-dimethylocta-2,6-dienal
CID 124647728
3,7-dimethylocta-2,6-dienal;thiourea
CID 175295951
(2E,10E)-5-methoxy-3,7,9,11,15-pentamethylhexadeca-2,6,10,14-tetraenal;molecular iodine
CID 91156191
3,8-dimethylnon-2-enal
CID 91613839
5-ethoxy-3,7,11-trimethyldodeca-2,6,10-trienal
CID 71324889
butan-1-ol;3,7-dimethylocta-2,6-dienal
CID 175220199
(E,3S)-3,5-dimethylnon-4-enal
CID 100974703
1,1-diethoxyethane;3,7-dimethylocta-2,6-dienal;propane-1,2,3-triol
CID 88617273
3,7,11-trimethyldodeca-2,6,10-trienal;3,7,11-trimethyldodeca-2,6,10-trienoic acid
CID 175832885

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal?
The IUPAC name of (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal (CID 139299568) is (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal.
What is the SMILES notation for (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal?
The canonical SMILES for (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal is CC(C)=CCC(C)/C=C(\C)CC/C(C)=C/C=O.
What is the InChIKey of (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal?
The InChIKey is LQOWZJPSSOYMQH-FRPPMVQASA-N. The full InChI is InChI=1S/C16H26O/c1-13(2)6-7-15(4)12-16(5)9-8-14(3)10-11-17/h6,10-12,15H,7-9H2,1-5H3/b14-10+,16-12+.
What are the key properties of (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal?
(2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal has a molecular weight of 234.38 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal is sourced from PubChem (CID 139299568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).