disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane

C18H35Na2O3P — CID 6454175

IUPACdisodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C18H37O3P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2/b10-9-;;
InChIKeyOVYRNOBRPQGGAF-XXAVUKJNSA-L
MW376.43 g/mol
LogP-1.05
Rot. Bonds16

About disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane

disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane (PubChem CID 6454175) has the molecular formula C18H35Na2O3P and a molecular weight of 376.43 g/mol. Its IUPAC name is disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namedisodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
PubChem CID6454175
Molecular FormulaC18H35Na2O3P
Molecular Weight376.43 g/mol
Exact Mass376.21
IUPAC Namedisodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C18H37O3P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2/b10-9-;;
InChIKeyOVYRNOBRPQGGAF-XXAVUKJNSA-L
XLogP-1.05
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
The IUPAC name of disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane (CID 6454175) is disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
The canonical SMILES for disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane is CCCCCCCC/C=C\CCCCCCCCP(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
The InChIKey is OVYRNOBRPQGGAF-XXAVUKJNSA-L. The full InChI is InChI=1S/C18H37O3P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;;/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2/b10-9-;;.
What are the key properties of disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane?
disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane has a molecular weight of 376.43 g/mol, XLogP of -1.05, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(Z)-octadec-9-enyl]-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 6454175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).