disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate

C8H17Na2O6P — CID 174879383

IUPACdisodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCOP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H15O6P.2Na.2H/c1-3-8(9)14-7(2)5-4-6-13-15(10,11)12;;;;/h3,7H,1,4-6H2,2H3,(H2,10,11,12);;;;/q;2*+1;2*-1
InChIKeyPWHOAJGJSMHKAU-UHFFFAOYSA-N
MW286.17 g/mol
LogP-4.77
Rot. Bonds7

About disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate

disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate (PubChem CID 174879383) has the molecular formula C8H17Na2O6P and a molecular weight of 286.17 g/mol. Its IUPAC name is disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate.

Molecular Properties

Compound Namedisodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate
PubChem CID174879383
Molecular FormulaC8H17Na2O6P
Molecular Weight286.17 g/mol
Exact Mass286.06
IUPAC Namedisodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCOP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C8H15O6P.2Na.2H/c1-3-8(9)14-7(2)5-4-6-13-15(10,11)12;;;;/h3,7H,1,4-6H2,2H3,(H2,10,11,12);;;;/q;2*+1;2*-1
InChIKeyPWHOAJGJSMHKAU-UHFFFAOYSA-N
XLogP-4.77
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 5-4.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

12-phosphonooxydodecan-2-yl prop-2-enoate
CID 141003754
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
4-dihydroxyphosphinothioyloxybutan-2-yl prop-2-enoate
CID 174977844
5-methylhexan-2-yl prop-2-enoate
CID 151222941
[3-oxo-3-(5-prop-2-enoyloxyhexoxy)propyl]phosphonic acid
CID 141274929
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
5-hydrazinylpentan-2-yl prop-2-enoate
CID 139644736
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
5-(amino-methoxy-methylsilyl)oxypentan-2-yl prop-2-enoate
CID 174865681
5-(4-methylphenoxy)pentan-2-yl prop-2-enoate
CID 23527604
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate?
The IUPAC name of disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate (CID 174879383) is disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate.
What is the SMILES notation for disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate?
The canonical SMILES for disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCOP(=O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate?
The InChIKey is PWHOAJGJSMHKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O6P.2Na.2H/c1-3-8(9)14-7(2)5-4-6-13-15(10,11)12;;;;/h3,7H,1,4-6H2,2H3,(H2,10,11,12);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate?
disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate has a molecular weight of 286.17 g/mol, XLogP of -4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;5-phosphonooxypentan-2-yl prop-2-enoate is sourced from PubChem (CID 174879383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).