(Z)-9-oxopentadec-7-en-7-olate

C15H27O2- — CID 59297224

IUPAC(Z)-9-oxopentadec-7-en-7-olate
SMILESCCCCCCC(=O)/C=C(\[O-])CCCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-9-11-14(16)13-15(17)12-10-8-6-4-2/h13,16H,3-12H2,1-2H3/p-1/b14-13-
InChIKeyNAVYNTUAAVTFRW-YPKPFQOOSA-M
MW239.38 g/mol
LogP3.74
Rot. Bonds11

About (Z)-9-oxopentadec-7-en-7-olate

(Z)-9-oxopentadec-7-en-7-olate (PubChem CID 59297224) has the molecular formula C15H27O2- and a molecular weight of 239.38 g/mol. Its IUPAC name is (Z)-9-oxopentadec-7-en-7-olate.

Molecular Properties

Compound Name(Z)-9-oxopentadec-7-en-7-olate
PubChem CID59297224
Molecular FormulaC15H27O2-
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(Z)-9-oxopentadec-7-en-7-olate
SMILESCCCCCCC(=O)/C=C(\[O-])CCCCCC
InChIInChI=1S/C15H28O2/c1-3-5-7-9-11-14(16)13-15(17)12-10-8-6-4-2/h13,16H,3-12H2,1-2H3/p-1/b14-13-
InChIKeyNAVYNTUAAVTFRW-YPKPFQOOSA-M
XLogP3.74
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

10-oxo-(11E)-octadecenoate
CID 168007649
3-Octanoyloxy-2-cyclopentene-1-on
CID 15625869
(E)-13-methoxytridec-2-en-4-one
CID 177854949
3-Decene-2,9-dione, 4-methyl-6-methylene-, E-
CID 5363610
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
Hentriacontane-7,16,18-trione O-trimethylsilyl ether
CID 5366388
(Z)-18-hydroxytritriacont-17-en-16-one
CID 125181647
2-Acetylcyclohexen-1-olate
CID 20609456
(Z)-9-hydroxypentadec-8-en-7-one
CID 20780763
2-Oxododec-3-en-4-olate
CID 57847855
2-Oxotetracos-3-en-4-olate
CID 58864838
(Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate
CID 59297226

Frequently Asked Questions

What is the IUPAC name of (Z)-9-oxopentadec-7-en-7-olate?
The IUPAC name of (Z)-9-oxopentadec-7-en-7-olate (CID 59297224) is (Z)-9-oxopentadec-7-en-7-olate.
What is the SMILES notation for (Z)-9-oxopentadec-7-en-7-olate?
The canonical SMILES for (Z)-9-oxopentadec-7-en-7-olate is CCCCCCC(=O)/C=C(\[O-])CCCCCC.
What is the InChIKey of (Z)-9-oxopentadec-7-en-7-olate?
The InChIKey is NAVYNTUAAVTFRW-YPKPFQOOSA-M. The full InChI is InChI=1S/C15H28O2/c1-3-5-7-9-11-14(16)13-15(17)12-10-8-6-4-2/h13,16H,3-12H2,1-2H3/p-1/b14-13-.
What are the key properties of (Z)-9-oxopentadec-7-en-7-olate?
(Z)-9-oxopentadec-7-en-7-olate has a molecular weight of 239.38 g/mol, XLogP of 3.74, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-oxopentadec-7-en-7-olate is sourced from PubChem (CID 59297224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).