(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal

C13H20O2 — CID 87827115

IUPAC(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C13H20O2/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8,10H,4-6,9H2,1-3H3/b11-7+,12-8+
InChIKeyUWMWUSQDDKGWQU-MKICQXMISA-N
MW208.30 g/mol
LogP3.23
Rot. Bonds7

About (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal

(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal (PubChem CID 87827115) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
PubChem CID87827115
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C13H20O2/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8,10H,4-6,9H2,1-3H3/b11-7+,12-8+
InChIKeyUWMWUSQDDKGWQU-MKICQXMISA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(2E,6E)-2,6-dimethylocta-2,6-dienal
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(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
methyl (2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoate
CID 24976790
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
2,6,11,15-tetramethyl-8-sulfonylhexadeca-2,6,10,14-tetraenedial
CID 142689055
3-methyl-7-oxooct-3-enal
CID 91303199
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal?
The IUPAC name of (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal (CID 87827115) is (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal.
What is the SMILES notation for (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal?
The canonical SMILES for (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal is CC(=O)CC/C=C(\C)CC/C=C(\C)C=O.
What is the InChIKey of (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal?
The InChIKey is UWMWUSQDDKGWQU-MKICQXMISA-N. The full InChI is InChI=1S/C13H20O2/c1-11(7-5-9-13(3)15)6-4-8-12(2)10-14/h7-8,10H,4-6,9H2,1-3H3/b11-7+,12-8+.
What are the key properties of (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal?
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal has a molecular weight of 208.30 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal is sourced from PubChem (CID 87827115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).