2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one

C16H26O2 — CID 24977072

IUPAC2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one
SMILESCC(=O)CCCC/C=C/CC1(C)CCCCC1=O
InChIInChI=1S/C16H26O2/c1-14(17)10-6-4-3-5-8-12-16(2)13-9-7-11-15(16)18/h5,8H,3-4,6-7,9-13H2,1-2H3/b8-5+
InChIKeyYASPHFNYQDEWPM-VMPITWQZSA-N
MW250.38 g/mol
LogP4.23
Rot. Bonds7

About 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one

2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one (PubChem CID 24977072) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one
PubChem CID24977072
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one
SMILESCC(=O)CCCC/C=C/CC1(C)CCCCC1=O
InChIInChI=1S/C16H26O2/c1-14(17)10-6-4-3-5-8-12-16(2)13-9-7-11-15(16)18/h5,8H,3-4,6-7,9-13H2,1-2H3/b8-5+
InChIKeyYASPHFNYQDEWPM-VMPITWQZSA-N
XLogP4.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.23
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 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one?
The IUPAC name of 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one (CID 24977072) is 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one.
What is the SMILES notation for 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one?
The canonical SMILES for 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one is CC(=O)CCCC/C=C/CC1(C)CCCCC1=O.
What is the InChIKey of 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one?
The InChIKey is YASPHFNYQDEWPM-VMPITWQZSA-N. The full InChI is InChI=1S/C16H26O2/c1-14(17)10-6-4-3-5-8-12-16(2)13-9-7-11-15(16)18/h5,8H,3-4,6-7,9-13H2,1-2H3/b8-5+.
What are the key properties of 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one?
2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one has a molecular weight of 250.38 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-8-oxonon-2-enyl]cyclohexan-1-one is sourced from PubChem (CID 24977072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).