(2E,4E)-7-hydroxy-8-methylnona-2,4-dienal

C10H16O2 — CID 15467048

IUPAC(2E,4E)-7-hydroxy-8-methylnona-2,4-dienal
SMILESCC(C)C(O)C/C=C/C=C/C=O
InChIInChI=1S/C10H16O2/c1-9(2)10(12)7-5-3-4-6-8-11/h3-6,8-10,12H,7H2,1-2H3/b5-3+,6-4+
InChIKeyLRUTYBGPRYQWMM-GGWOSOGESA-N
MW168.24 g/mol
LogP1.70
Rot. Bonds5

About (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal

(2E,4E)-7-hydroxy-8-methylnona-2,4-dienal (PubChem CID 15467048) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-7-hydroxy-8-methylnona-2,4-dienal
PubChem CID15467048
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2E,4E)-7-hydroxy-8-methylnona-2,4-dienal
SMILESCC(C)C(O)C/C=C/C=C/C=O
InChIInChI=1S/C10H16O2/c1-9(2)10(12)7-5-3-4-6-8-11/h3-6,8-10,12H,7H2,1-2H3/b5-3+,6-4+
InChIKeyLRUTYBGPRYQWMM-GGWOSOGESA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

8-hydroxy-3E,5E,10E,12-tridecatetraen-2-one
CID 171119152
(2E,4E,6S,7S)-7-hydroxy-6-methylnona-2,4-dienoic acid
CID 96012353
Penicillar A
CID 139583617
(3E,5Z,8S,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
CID 156582495
(2E,4E,6S)-2-(2-hydroxyethyl)-6,10-dimethylundeca-2,4,9-trienal
CID 162923462
(4E,6E,8S,9S)-9-hydroxy-8-methylundeca-4,6-dien-3-one
CID 162925209
(3E,5E,10E)-8-hydroxytrideca-3,5,10,12-tetraen-2-one
CID 170988694
Penicillquei C
CID 170989172
(e)-5-Hydroxy-6-methylhept-2-enal
CID 87291038
5-Hydroxy-6-methylhept-2-enal
CID 91355172
Mycinonic acid II
CID 14082280
7-Hydroxy-6-methylnona-2,4-dienoic acid
CID 14082281

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal?
The IUPAC name of (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal (CID 15467048) is (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal.
What is the SMILES notation for (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal?
The canonical SMILES for (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal is CC(C)C(O)C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal?
The InChIKey is LRUTYBGPRYQWMM-GGWOSOGESA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)10(12)7-5-3-4-6-8-11/h3-6,8-10,12H,7H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal?
(2E,4E)-7-hydroxy-8-methylnona-2,4-dienal has a molecular weight of 168.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-hydroxy-8-methylnona-2,4-dienal is sourced from PubChem (CID 15467048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).