(E)-2-methoxyundec-3-en-5-one

C12H22O2 — CID 24976880

IUPAC(E)-2-methoxyundec-3-en-5-one
SMILESCCCCCCC(=O)/C=C/C(C)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-12(13)10-9-11(2)14-3/h9-11H,4-8H2,1-3H3/b10-9+
InChIKeyFTVXDGOHKBEWCS-MDZDMXLPSA-N
MW198.31 g/mol
LogP3.12
Rot. Bonds8

About (E)-2-methoxyundec-3-en-5-one

(E)-2-methoxyundec-3-en-5-one (PubChem CID 24976880) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-2-methoxyundec-3-en-5-one.

Molecular Properties

Compound Name(E)-2-methoxyundec-3-en-5-one
PubChem CID24976880
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-2-methoxyundec-3-en-5-one
SMILESCCCCCCC(=O)/C=C/C(C)OC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-12(13)10-9-11(2)14-3/h9-11H,4-8H2,1-3H3/b10-9+
InChIKeyFTVXDGOHKBEWCS-MDZDMXLPSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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(2S)-2-[(2E,12Z)-4-oxohenicosa-2,12-dienyl]-2,3-dihydropyran-6-one
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(2R)-2-[(2E,12Z)-4-oxohenicosa-2,12-dienyl]-2,3-dihydropyran-6-one
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(2R)-2-[(E)-4-oxopentadec-2-enyl]-2,3-dihydropyran-6-one
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(2S)-2-[(E)-4-oxopentadec-2-enyl]-2,3-dihydropyran-6-one
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Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxyundec-3-en-5-one?
The IUPAC name of (E)-2-methoxyundec-3-en-5-one (CID 24976880) is (E)-2-methoxyundec-3-en-5-one.
What is the SMILES notation for (E)-2-methoxyundec-3-en-5-one?
The canonical SMILES for (E)-2-methoxyundec-3-en-5-one is CCCCCCC(=O)/C=C/C(C)OC.
What is the InChIKey of (E)-2-methoxyundec-3-en-5-one?
The InChIKey is FTVXDGOHKBEWCS-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-12(13)10-9-11(2)14-3/h9-11H,4-8H2,1-3H3/b10-9+.
What are the key properties of (E)-2-methoxyundec-3-en-5-one?
(E)-2-methoxyundec-3-en-5-one has a molecular weight of 198.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxyundec-3-en-5-one is sourced from PubChem (CID 24976880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).