sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate

C9H18NaO5P — CID 174941326

IUPACsodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(OC)OCCCCC.[H-].[Na+]
InChIInChI=1S/C9H17O5P.Na.H/c1-4-6-7-8-13-15(11,12-3)14-9(10)5-2;;/h5H,2,4,6-8H2,1,3H3;;/q;+1;-1
InChIKeyOGSMPSMEONVLND-UHFFFAOYSA-N
MW260.20 g/mol
LogP-0.21
Rot. Bonds8

About sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate

sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate (PubChem CID 174941326) has the molecular formula C9H18NaO5P and a molecular weight of 260.20 g/mol. Its IUPAC name is sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate.

Molecular Properties

Compound Namesodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate
PubChem CID174941326
Molecular FormulaC9H18NaO5P
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Namesodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(OC)OCCCCC.[H-].[Na+]
InChIInChI=1S/C9H17O5P.Na.H/c1-4-6-7-8-13-15(11,12-3)14-9(10)5-2;;/h5H,2,4,6-8H2,1,3H3;;/q;+1;-1
InChIKeyOGSMPSMEONVLND-UHFFFAOYSA-N
XLogP-0.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[hydroxy(undecoxy)phosphoryl] prop-2-eneperoxoate
CID 151037759
[hexyl(methoxy)phosphoryl] prop-2-enoate
CID 174626356
butyl [(1Z)-1-chlorobuta-1,3-dien-2-yl] pentyl phosphate
CID 134288650
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
bis(amino prop-2-enoate);hexyl dihydrogen phosphate
CID 172853475
butyl hexadecyl methyl phosphate;trimethylazanium
CID 145097672
butyl 4-hydroxybutyl methyl phosphate
CID 71322599
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
decyl prop-2-enoate
CID 162172023
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate?
The IUPAC name of sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate (CID 174941326) is sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate.
What is the SMILES notation for sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate?
The canonical SMILES for sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate is C=CC(=O)OP(=O)(OC)OCCCCC.[H-].[Na+].
What is the InChIKey of sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate?
The InChIKey is OGSMPSMEONVLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O5P.Na.H/c1-4-6-7-8-13-15(11,12-3)14-9(10)5-2;;/h5H,2,4,6-8H2,1,3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate?
sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate has a molecular weight of 260.20 g/mol, XLogP of -0.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate is sourced from PubChem (CID 174941326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).