(Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate

C17H31O2- — CID 59297226

IUPAC(Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate
SMILESCC(C)CCCCC(=O)/C=C(\[O-])CCCCC(C)C
InChIInChI=1S/C17H32O2/c1-14(2)9-5-7-11-16(18)13-17(19)12-8-6-10-15(3)4/h13-15,18H,5-12H2,1-4H3/p-1/b16-13-
InChIKeyIJHMJVZHWGWBDI-SSZFMOIBSA-M
MW267.43 g/mol
LogP4.23
Rot. Bonds11

About (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate

(Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate (PubChem CID 59297226) has the molecular formula C17H31O2- and a molecular weight of 267.43 g/mol. Its IUPAC name is (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate.

Molecular Properties

Compound Name(Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate
PubChem CID59297226
Molecular FormulaC17H31O2-
Molecular Weight267.43 g/mol
Exact Mass267.23
IUPAC Name(Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate
SMILESCC(C)CCCCC(=O)/C=C(\[O-])CCCCC(C)C
InChIInChI=1S/C17H32O2/c1-14(2)9-5-7-11-16(18)13-17(19)12-8-6-10-15(3)4/h13-15,18H,5-12H2,1-4H3/p-1/b16-13-
InChIKeyIJHMJVZHWGWBDI-SSZFMOIBSA-M
XLogP4.23
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.43
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate?
The IUPAC name of (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate (CID 59297226) is (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate.
What is the SMILES notation for (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate?
The canonical SMILES for (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate is CC(C)CCCCC(=O)/C=C(\[O-])CCCCC(C)C.
What is the InChIKey of (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate?
The InChIKey is IJHMJVZHWGWBDI-SSZFMOIBSA-M. The full InChI is InChI=1S/C17H32O2/c1-14(2)9-5-7-11-16(18)13-17(19)12-8-6-10-15(3)4/h13-15,18H,5-12H2,1-4H3/p-1/b16-13-.
What are the key properties of (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate?
(Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate has a molecular weight of 267.43 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,14-dimethyl-9-oxopentadec-7-en-7-olate is sourced from PubChem (CID 59297226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).