(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one

C15H28O2 — CID 123942090

IUPAC(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one
SMILESC/C=C/C(=O)C(C)C(OC)C(C)CCCCC
InChIInChI=1S/C15H28O2/c1-6-8-9-11-12(3)15(17-5)13(4)14(16)10-7-2/h7,10,12-13,15H,6,8-9,11H2,1-5H3/b10-7+
InChIKeyONSDMEVDUOSDCN-JXMROGBWSA-N
MW240.39 g/mol
LogP4.00
Rot. Bonds9

About (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one

(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one (PubChem CID 123942090) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one.

Molecular Properties

Compound Name(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one
PubChem CID123942090
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one
SMILESC/C=C/C(=O)C(C)C(OC)C(C)CCCCC
InChIInChI=1S/C15H28O2/c1-6-8-9-11-12(3)15(17-5)13(4)14(16)10-7-2/h7,10,12-13,15H,6,8-9,11H2,1-5H3/b10-7+
InChIKeyONSDMEVDUOSDCN-JXMROGBWSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.00
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

(2E,6E)-11-(hydroxymethyl)-10-methoxy-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145976313
(2E,6E,10R,11S)-11-(hydroxymethyl)-10-methoxy-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145978252
6-methyl-5-[[(2S,3S)-3-methyl-3-[(E)-4-oxopent-2-enyl]oxiran-2-yl]methyl]hept-6-en-2-one
CID 155522167
Leptodienone B
CID 25110933
Leptodienone A
CID 25110932
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804
(2E,6E,10S,11R)-11-(hydroxymethyl)-10-methoxy-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145973746
(2E,6E,11S)-11-(hydroxymethyl)-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145973903
(2E,6E,11R)-11-(hydroxymethyl)-4,4,7-trimethylcycloundeca-2,6-dien-1-one
CID 145976027
(1R,2S)-2-Hexadecyl-5-oxo-cyclopent-3-enecarboxylic acid methyl ester
CID 44386753
Ardisianone A
CID 6443649
1,5,9-Trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 74423110

Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one?
The IUPAC name of (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one (CID 123942090) is (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one.
What is the SMILES notation for (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one?
The canonical SMILES for (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one is C/C=C/C(=O)C(C)C(OC)C(C)CCCCC.
What is the InChIKey of (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one?
The InChIKey is ONSDMEVDUOSDCN-JXMROGBWSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-8-9-11-12(3)15(17-5)13(4)14(16)10-7-2/h7,10,12-13,15H,6,8-9,11H2,1-5H3/b10-7+.
What are the key properties of (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one?
(E)-6-methoxy-5,7-dimethyldodec-2-en-4-one has a molecular weight of 240.39 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-5,7-dimethyldodec-2-en-4-one is sourced from PubChem (CID 123942090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).