(E)-8-methoxy-6-methyloct-6-ene-2,5-dione

C10H16O3 — CID 90338934

IUPAC(E)-8-methoxy-6-methyloct-6-ene-2,5-dione
SMILESCOC/C=C(\C)C(=O)CCC(C)=O
InChIInChI=1S/C10H16O3/c1-8(6-7-13-3)10(12)5-4-9(2)11/h6H,4-5,7H2,1-3H3/b8-6+
InChIKeyTUEKJUZMVYGRGT-SOFGYWHQSA-N
MW184.23 g/mol
LogP1.52
Rot. Bonds6

About (E)-8-methoxy-6-methyloct-6-ene-2,5-dione

(E)-8-methoxy-6-methyloct-6-ene-2,5-dione (PubChem CID 90338934) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (E)-8-methoxy-6-methyloct-6-ene-2,5-dione.

Molecular Properties

Compound Name(E)-8-methoxy-6-methyloct-6-ene-2,5-dione
PubChem CID90338934
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(E)-8-methoxy-6-methyloct-6-ene-2,5-dione
SMILESCOC/C=C(\C)C(=O)CCC(C)=O
InChIInChI=1S/C10H16O3/c1-8(6-7-13-3)10(12)5-4-9(2)11/h6H,4-5,7H2,1-3H3/b8-6+
InChIKeyTUEKJUZMVYGRGT-SOFGYWHQSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-propylideneheptane-2,5-dione
CID 15482655
(4E)-4-butylideneheptane-2,5-dione
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ethyl (E)-3-methyl-4-oxohept-2-enoate
CID 15717589
(3E)-3-butylideneheptane-2,5-dione
CID 21672748
(E)-Ethyl 3-methyl-4-oxodec-2-enoate
CID 154709954
ethyl (E)-3-acetylhept-2-enoate
CID 154710224
ethyl (E)-3-methyl-4-oxonon-2-enoate
CID 154710666
ethyl (E)-3-methyl-4-oxooct-2-enoate
CID 154710777
(E)-3-(2,2-dimethoxyethylidene)heptan-2-one
CID 25062091
(E)-3-(2,2-dimethoxyethylidene)octan-2-one
CID 25062092
(Z)-3-ethylselanyl-1-methoxynon-2-en-4-one
CID 15500701
methyl (E)-3-(3-oxobutyl)non-2-enoate
CID 16750751

Frequently Asked Questions

What is the IUPAC name of (E)-8-methoxy-6-methyloct-6-ene-2,5-dione?
The IUPAC name of (E)-8-methoxy-6-methyloct-6-ene-2,5-dione (CID 90338934) is (E)-8-methoxy-6-methyloct-6-ene-2,5-dione.
What is the SMILES notation for (E)-8-methoxy-6-methyloct-6-ene-2,5-dione?
The canonical SMILES for (E)-8-methoxy-6-methyloct-6-ene-2,5-dione is COC/C=C(\C)C(=O)CCC(C)=O.
What is the InChIKey of (E)-8-methoxy-6-methyloct-6-ene-2,5-dione?
The InChIKey is TUEKJUZMVYGRGT-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(6-7-13-3)10(12)5-4-9(2)11/h6H,4-5,7H2,1-3H3/b8-6+.
What are the key properties of (E)-8-methoxy-6-methyloct-6-ene-2,5-dione?
(E)-8-methoxy-6-methyloct-6-ene-2,5-dione has a molecular weight of 184.23 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methoxy-6-methyloct-6-ene-2,5-dione is sourced from PubChem (CID 90338934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).