(E)-7-methyl-9-oxoundec-5-enal

C12H20O2 — CID 134981620

IUPAC(E)-7-methyl-9-oxoundec-5-enal
SMILESCCC(=O)CC(C)/C=C/CCCC=O
InChIInChI=1S/C12H20O2/c1-3-12(14)10-11(2)8-6-4-5-7-9-13/h6,8-9,11H,3-5,7,10H2,1-2H3/b8-6+
InChIKeyPZXVXIYIMXNLAP-SOFGYWHQSA-N
MW196.29 g/mol
LogP2.92
Rot. Bonds8

About (E)-7-methyl-9-oxoundec-5-enal

(E)-7-methyl-9-oxoundec-5-enal (PubChem CID 134981620) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-7-methyl-9-oxoundec-5-enal.

Molecular Properties

Compound Name(E)-7-methyl-9-oxoundec-5-enal
PubChem CID134981620
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(E)-7-methyl-9-oxoundec-5-enal
SMILESCCC(=O)CC(C)/C=C/CCCC=O
InChIInChI=1S/C12H20O2/c1-3-12(14)10-11(2)8-6-4-5-7-9-13/h6,8-9,11H,3-5,7,10H2,1-2H3/b8-6+
InChIKeyPZXVXIYIMXNLAP-SOFGYWHQSA-N
XLogP2.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,3R)-3-methyldec-4-enoic acid
CID 162918439
(Z)-3-methyldec-4-enoic acid
CID 131751127
3-methyldec-4-enoic acid
CID 579940
(5S)-5-methyloct-6-en-3-one
CID 91563956
8-oxodecanal
CID 118225653
methyl (E)-3-methylnon-4-enoate
CID 14170346
8-hydroxy-6-oxononanal
CID 91579516
(Z,9S)-9-hydroxydec-5-enal
CID 11041152
(6E,12E)-octadeca-6,12-dienal
CID 10220937
[(E)-7-methylnon-5-enyl] acetate
CID 170849159
(E)-3-methyldec-4-ene
CID 5364642
(E)-14-methylhexadec-8-enal
CID 6073809

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyl-9-oxoundec-5-enal?
The IUPAC name of (E)-7-methyl-9-oxoundec-5-enal (CID 134981620) is (E)-7-methyl-9-oxoundec-5-enal.
What is the SMILES notation for (E)-7-methyl-9-oxoundec-5-enal?
The canonical SMILES for (E)-7-methyl-9-oxoundec-5-enal is CCC(=O)CC(C)/C=C/CCCC=O.
What is the InChIKey of (E)-7-methyl-9-oxoundec-5-enal?
The InChIKey is PZXVXIYIMXNLAP-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-12(14)10-11(2)8-6-4-5-7-9-13/h6,8-9,11H,3-5,7,10H2,1-2H3/b8-6+.
What are the key properties of (E)-7-methyl-9-oxoundec-5-enal?
(E)-7-methyl-9-oxoundec-5-enal has a molecular weight of 196.29 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyl-9-oxoundec-5-enal is sourced from PubChem (CID 134981620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).