(2E,6E)-2,6-dimethylocta-2,6-dienal

C10H16O — CID 19035325

IUPAC(2E,6E)-2,6-dimethylocta-2,6-dienal
SMILESC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,5-6H2,1-3H3/b9-4+,10-7+
InChIKeyHVVPDZLBSPUSGE-SXFWLWNESA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds4

About (2E,6E)-2,6-dimethylocta-2,6-dienal

(2E,6E)-2,6-dimethylocta-2,6-dienal (PubChem CID 19035325) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,6E)-2,6-dimethylocta-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-2,6-dimethylocta-2,6-dienal
PubChem CID19035325
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E,6E)-2,6-dimethylocta-2,6-dienal
SMILESC/C=C(\C)CC/C=C(\C)C=O
InChIInChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,5-6H2,1-3H3/b9-4+,10-7+
InChIKeyHVVPDZLBSPUSGE-SXFWLWNESA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
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

(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
methyl (2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoate
CID 24976790
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
2,6,11,15-tetramethyl-8-sulfonylhexadeca-2,6,10,14-tetraenedial
CID 142689055
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenal
CID 175857792
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal
CID 14865331
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-dimethylocta-2,6-dienal?
The IUPAC name of (2E,6E)-2,6-dimethylocta-2,6-dienal (CID 19035325) is (2E,6E)-2,6-dimethylocta-2,6-dienal.
What is the SMILES notation for (2E,6E)-2,6-dimethylocta-2,6-dienal?
The canonical SMILES for (2E,6E)-2,6-dimethylocta-2,6-dienal is C/C=C(\C)CC/C=C(\C)C=O.
What is the InChIKey of (2E,6E)-2,6-dimethylocta-2,6-dienal?
The InChIKey is HVVPDZLBSPUSGE-SXFWLWNESA-N. The full InChI is InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7-8H,5-6H2,1-3H3/b9-4+,10-7+.
What are the key properties of (2E,6E)-2,6-dimethylocta-2,6-dienal?
(2E,6E)-2,6-dimethylocta-2,6-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-dimethylocta-2,6-dienal is sourced from PubChem (CID 19035325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).