(E)-3-methoxy-4-oxodec-2-enal

C11H18O3 — CID 11275643

IUPAC(E)-3-methoxy-4-oxodec-2-enal
SMILESCCCCCCC(=O)/C(=C\C=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-10(13)11(14-2)8-9-12/h8-9H,3-7H2,1-2H3/b11-8+
InChIKeyLKYUZSXJZXIBFT-DHZHZOJOSA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds8

About (E)-3-methoxy-4-oxodec-2-enal

(E)-3-methoxy-4-oxodec-2-enal (PubChem CID 11275643) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (E)-3-methoxy-4-oxodec-2-enal.

Molecular Properties

Compound Name(E)-3-methoxy-4-oxodec-2-enal
PubChem CID11275643
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(E)-3-methoxy-4-oxodec-2-enal
SMILESCCCCCCC(=O)/C(=C\C=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-6-7-10(13)11(14-2)8-9-12/h8-9H,3-7H2,1-2H3/b11-8+
InChIKeyLKYUZSXJZXIBFT-DHZHZOJOSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-Methoxy-6-undecyl-1,4-benzoquinone
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2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone
CID 5086864
3-Decyl-2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
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2,5-Dimethoxy-3-hexyl-2,5-cyclohexadiene-1,4-dione
CID 118733915
2,5-Dimethoxy-3-octylcyclohexa-2,5-diene-1,4-dione
CID 118733916
2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-
CID 183882
6-Dodecyl-2-methoxy-1,4-benzoquinone
CID 193384
2-Decyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10084963
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CID 46189192

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-4-oxodec-2-enal?
The IUPAC name of (E)-3-methoxy-4-oxodec-2-enal (CID 11275643) is (E)-3-methoxy-4-oxodec-2-enal.
What is the SMILES notation for (E)-3-methoxy-4-oxodec-2-enal?
The canonical SMILES for (E)-3-methoxy-4-oxodec-2-enal is CCCCCCC(=O)/C(=C\C=O)OC.
What is the InChIKey of (E)-3-methoxy-4-oxodec-2-enal?
The InChIKey is LKYUZSXJZXIBFT-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-5-6-7-10(13)11(14-2)8-9-12/h8-9H,3-7H2,1-2H3/b11-8+.
What are the key properties of (E)-3-methoxy-4-oxodec-2-enal?
(E)-3-methoxy-4-oxodec-2-enal has a molecular weight of 198.26 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-4-oxodec-2-enal is sourced from PubChem (CID 11275643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).