(E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one

C11H20O2 — CID 164821962

IUPAC(E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one
SMILESCCC(=O)/C=C/[C@@H](C)[C@@H](CC)OC
InChIInChI=1S/C11H20O2/c1-5-10(12)8-7-9(3)11(6-2)13-4/h7-9,11H,5-6H2,1-4H3/b8-7+/t9-,11-/m1/s1
InChIKeyJIDOYZAHCGAFHD-FQZVFUSHSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds6

About (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one

(E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one (PubChem CID 164821962) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one.

Molecular Properties

Compound Name(E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one
PubChem CID164821962
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one
SMILESCCC(=O)/C=C/[C@@H](C)[C@@H](CC)OC
InChIInChI=1S/C11H20O2/c1-5-10(12)8-7-9(3)11(6-2)13-4/h7-9,11H,5-6H2,1-4H3/b8-7+/t9-,11-/m1/s1
InChIKeyJIDOYZAHCGAFHD-FQZVFUSHSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E,6E,8S,9S)-9-hydroxy-8-methylundeca-4,6-dien-3-one
CID 162925209
4,6-Dimethyl-7-hydroxy-4-nonen-3-one
CID 74068216
Isovalerylamylenhydrate
CID 129632274
7-Acetoxyl-4,6-dimethyl-4-nonen-3-one
CID 129775893
(E,6S,7R)-7-hydroxy-6,8-dimethylnon-4-en-3-one
CID 134969824
6-Methyl-4-nonen-3-one
CID 3022935
6-Methylnon-4-en-3-one
CID 6366304
Ilgfsisngjiqfs-votsokgwsa-
CID 44631553
(E,6S)-6-hydroxy-7-methyloct-3-en-2-one
CID 49781849
(4E,6E)-9-hydroxy-8-methylundeca-4,6-dien-3-one
CID 14082284
8-Methyl-3-oxonon-4-enal
CID 57199412
(E)-2,8-dimethylnon-4-ene-3,7-dione
CID 58193306

Frequently Asked Questions

What is the IUPAC name of (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one?
The IUPAC name of (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one (CID 164821962) is (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one.
What is the SMILES notation for (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one?
The canonical SMILES for (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one is CCC(=O)/C=C/[C@@H](C)[C@@H](CC)OC.
What is the InChIKey of (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one?
The InChIKey is JIDOYZAHCGAFHD-FQZVFUSHSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-10(12)8-7-9(3)11(6-2)13-4/h7-9,11H,5-6H2,1-4H3/b8-7+/t9-,11-/m1/s1.
What are the key properties of (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one?
(E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one has a molecular weight of 184.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R,7R)-7-methoxy-6-methylnon-4-en-3-one is sourced from PubChem (CID 164821962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).