(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one

C14H24O2 — CID 88828035

IUPAC(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C14H24O2/c1-12(8-6-10-14(3)15)7-5-9-13(2)11-16-4/h8-9H,5-7,10-11H2,1-4H3/b12-8+,13-9+
InChIKeySGNNTCBXZNBLBJ-QHKWOANTSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds8

About (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one

(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 88828035) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID88828035
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCOC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C14H24O2/c1-12(8-6-10-14(3)15)7-5-9-13(2)11-16-4/h8-9H,5-7,10-11H2,1-4H3/b12-8+,13-9+
InChIKeySGNNTCBXZNBLBJ-QHKWOANTSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one with MolForge

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Related Compounds

(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 101334323
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
[(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienyl] benzoate
CID 57418029
(E)-6-methyl-8-propan-2-yloxyoct-5-en-2-one
CID 12910611
12-(methoxymethoxy)-3,7,11-trimethyldodeca-2,6,10-trienal
CID 57206388
3-methyl-7-oxooct-3-enal
CID 91303199
(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
CID 16655283

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one (CID 88828035) is (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one is COC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is SGNNTCBXZNBLBJ-QHKWOANTSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(8-6-10-14(3)15)7-5-9-13(2)11-16-4/h8-9H,5-7,10-11H2,1-4H3/b12-8+,13-9+.
What are the key properties of (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one?
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 88828035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).