(E)-7-methoxy-6-methyloct-5-en-2-one

C10H18O2 — CID 21428484

IUPAC(E)-7-methoxy-6-methyloct-5-en-2-one
SMILESCOC(C)/C(C)=C/CCC(C)=O
InChIInChI=1S/C10H18O2/c1-8(10(3)12-4)6-5-7-9(2)11/h6,10H,5,7H2,1-4H3/b8-6+
InChIKeyDZBOFFXNTRRGFL-SOFGYWHQSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds5

About (E)-7-methoxy-6-methyloct-5-en-2-one

(E)-7-methoxy-6-methyloct-5-en-2-one (PubChem CID 21428484) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-7-methoxy-6-methyloct-5-en-2-one.

Molecular Properties

Compound Name(E)-7-methoxy-6-methyloct-5-en-2-one
PubChem CID21428484
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-7-methoxy-6-methyloct-5-en-2-one
SMILESCOC(C)/C(C)=C/CCC(C)=O
InChIInChI=1S/C10H18O2/c1-8(10(3)12-4)6-5-7-9(2)11/h6,10H,5,7H2,1-4H3/b8-6+
InChIKeyDZBOFFXNTRRGFL-SOFGYWHQSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxy-6-methyloct-5-en-2-one?
The IUPAC name of (E)-7-methoxy-6-methyloct-5-en-2-one (CID 21428484) is (E)-7-methoxy-6-methyloct-5-en-2-one.
What is the SMILES notation for (E)-7-methoxy-6-methyloct-5-en-2-one?
The canonical SMILES for (E)-7-methoxy-6-methyloct-5-en-2-one is COC(C)/C(C)=C/CCC(C)=O.
What is the InChIKey of (E)-7-methoxy-6-methyloct-5-en-2-one?
The InChIKey is DZBOFFXNTRRGFL-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(10(3)12-4)6-5-7-9(2)11/h6,10H,5,7H2,1-4H3/b8-6+.
What are the key properties of (E)-7-methoxy-6-methyloct-5-en-2-one?
(E)-7-methoxy-6-methyloct-5-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxy-6-methyloct-5-en-2-one is sourced from PubChem (CID 21428484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).