(Z)-9-hydroxypentadec-8-en-7-one

C15H28O2 — CID 20780763

IUPAC(Z)-9-hydroxypentadec-8-en-7-one
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/b14-13-
InChIKeyNAVYNTUAAVTFRW-YPKPFQOOSA-N
MW240.39 g/mol
LogP4.94
Rot. Bonds11

About (Z)-9-hydroxypentadec-8-en-7-one

(Z)-9-hydroxypentadec-8-en-7-one (PubChem CID 20780763) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (Z)-9-hydroxypentadec-8-en-7-one.

Molecular Properties

Compound Name(Z)-9-hydroxypentadec-8-en-7-one
PubChem CID20780763
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(Z)-9-hydroxypentadec-8-en-7-one
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/b14-13-
InChIKeyNAVYNTUAAVTFRW-YPKPFQOOSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
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)-9-hydroxypentadec-8-en-7-one?
The IUPAC name of (Z)-9-hydroxypentadec-8-en-7-one (CID 20780763) is (Z)-9-hydroxypentadec-8-en-7-one.
What is the SMILES notation for (Z)-9-hydroxypentadec-8-en-7-one?
The canonical SMILES for (Z)-9-hydroxypentadec-8-en-7-one is CCCCCCC(=O)/C=C(\O)CCCCCC.
What is the InChIKey of (Z)-9-hydroxypentadec-8-en-7-one?
The InChIKey is NAVYNTUAAVTFRW-YPKPFQOOSA-N. 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/b14-13-.
What are the key properties of (Z)-9-hydroxypentadec-8-en-7-one?
(Z)-9-hydroxypentadec-8-en-7-one has a molecular weight of 240.39 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-hydroxypentadec-8-en-7-one is sourced from PubChem (CID 20780763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).