(Z)-1-diethylphosphoryloctadec-9-en-1-one

C22H43O2P — CID 140994717

IUPAC(Z)-1-diethylphosphoryloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)P(=O)(CC)CC
InChIInChI=1S/C22H43O2P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)25(24,5-2)6-3/h13-14H,4-12,15-21H2,1-3H3/b14-13-
InChIKeyPZIAIVRPPFEUHE-YPKPFQOOSA-N
MW370.56 g/mol
LogP7.95
Rot. Bonds18

About (Z)-1-diethylphosphoryloctadec-9-en-1-one

(Z)-1-diethylphosphoryloctadec-9-en-1-one (PubChem CID 140994717) has the molecular formula C22H43O2P and a molecular weight of 370.56 g/mol. Its IUPAC name is (Z)-1-diethylphosphoryloctadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-1-diethylphosphoryloctadec-9-en-1-one
PubChem CID140994717
Molecular FormulaC22H43O2P
Molecular Weight370.56 g/mol
Exact Mass370.30
IUPAC Name(Z)-1-diethylphosphoryloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)P(=O)(CC)CC
InChIInChI=1S/C22H43O2P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)25(24,5-2)6-3/h13-14H,4-12,15-21H2,1-3H3/b14-13-
InChIKeyPZIAIVRPPFEUHE-YPKPFQOOSA-N
XLogP7.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 57.95
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

di(octadec-9-enoyl)phosphinic acid
CID 173143631
tetradec-9-enoylphosphonic acid
CID 173391216
(E)-triacont-15-ene-8,23-dione
CID 11849500
(Z)-hexadec-9-enoic acid;phosphoric acid
CID 155410980
bis((Z)-octadec-9-enoic acid);phosphoric acid
CID 175722517
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
heptacos-7-enoic acid
CID 169277112
(Z)-(1,2,3,7,8-13C5)octadec-9-enoic acid
CID 117064632
(Z)-tricos-15-enamide
CID 155109212
tetradec-8-enoic acid
CID 54338786

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethylphosphoryloctadec-9-en-1-one?
The IUPAC name of (Z)-1-diethylphosphoryloctadec-9-en-1-one (CID 140994717) is (Z)-1-diethylphosphoryloctadec-9-en-1-one.
What is the SMILES notation for (Z)-1-diethylphosphoryloctadec-9-en-1-one?
The canonical SMILES for (Z)-1-diethylphosphoryloctadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCCC(=O)P(=O)(CC)CC.
What is the InChIKey of (Z)-1-diethylphosphoryloctadec-9-en-1-one?
The InChIKey is PZIAIVRPPFEUHE-YPKPFQOOSA-N. The full InChI is InChI=1S/C22H43O2P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)25(24,5-2)6-3/h13-14H,4-12,15-21H2,1-3H3/b14-13-.
What are the key properties of (Z)-1-diethylphosphoryloctadec-9-en-1-one?
(Z)-1-diethylphosphoryloctadec-9-en-1-one has a molecular weight of 370.56 g/mol, XLogP of 7.95, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethylphosphoryloctadec-9-en-1-one is sourced from PubChem (CID 140994717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).