(Z)-8-methoxyoct-6-en-2-one

C9H16O2 — CID 90334131

IUPAC(Z)-8-methoxyoct-6-en-2-one
SMILESCOC/C=C\CCCC(C)=O
InChIInChI=1S/C9H16O2/c1-9(10)7-5-3-4-6-8-11-2/h4,6H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyQNLGPAASKQQSBT-XQRVVYSFSA-N
MW156.22 g/mol
LogP1.95
Rot. Bonds6

About (Z)-8-methoxyoct-6-en-2-one

(Z)-8-methoxyoct-6-en-2-one (PubChem CID 90334131) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (Z)-8-methoxyoct-6-en-2-one.

Molecular Properties

Compound Name(Z)-8-methoxyoct-6-en-2-one
PubChem CID90334131
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(Z)-8-methoxyoct-6-en-2-one
SMILESCOC/C=C\CCCC(C)=O
InChIInChI=1S/C9H16O2/c1-9(10)7-5-3-4-6-8-11-2/h4,6H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyQNLGPAASKQQSBT-XQRVVYSFSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-methoxyoct-6-en-2-one?
The IUPAC name of (Z)-8-methoxyoct-6-en-2-one (CID 90334131) is (Z)-8-methoxyoct-6-en-2-one.
What is the SMILES notation for (Z)-8-methoxyoct-6-en-2-one?
The canonical SMILES for (Z)-8-methoxyoct-6-en-2-one is COC/C=C\CCCC(C)=O.
What is the InChIKey of (Z)-8-methoxyoct-6-en-2-one?
The InChIKey is QNLGPAASKQQSBT-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(10)7-5-3-4-6-8-11-2/h4,6H,3,5,7-8H2,1-2H3/b6-4-.
What are the key properties of (Z)-8-methoxyoct-6-en-2-one?
(Z)-8-methoxyoct-6-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-methoxyoct-6-en-2-one is sourced from PubChem (CID 90334131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).