2-phosphonooxypentyl 2-methylprop-2-enoate

C9H17O6P — CID 170162383

IUPAC2-phosphonooxypentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC)OP(=O)(O)O
InChIInChI=1S/C9H17O6P/c1-4-5-8(15-16(11,12)13)6-14-9(10)7(2)3/h8H,2,4-6H2,1,3H3,(H2,11,12,13)
InChIKeyVBAGCMRFKYPXGI-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.38
Rot. Bonds7

About 2-phosphonooxypentyl 2-methylprop-2-enoate

2-phosphonooxypentyl 2-methylprop-2-enoate (PubChem CID 170162383) has the molecular formula C9H17O6P and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-phosphonooxypentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-phosphonooxypentyl 2-methylprop-2-enoate
PubChem CID170162383
Molecular FormulaC9H17O6P
Molecular Weight252.20 g/mol
Exact Mass252.08
IUPAC Name2-phosphonooxypentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC)OP(=O)(O)O
InChIInChI=1S/C9H17O6P/c1-4-5-8(15-16(11,12)13)6-14-9(10)7(2)3/h8H,2,4-6H2,1,3H3,(H2,11,12,13)
InChIKeyVBAGCMRFKYPXGI-UHFFFAOYSA-N
XLogP1.38
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis[1-(2-methylprop-2-enoyloxy)hexan-2-yloxy]phosphoryloxy]hexyl 2-methylprop-2-enoate
CID 90186256
4-phosphonooxynonyl 2-methylprop-2-enoate
CID 158195608
(3-chloro-2-phosphonooxypropyl) 2-methylprop-2-enoate;methane;2-phosphonooxypropyl 2-methylprop-2-enoate
CID 160861397
5-phosphonooxytetradecyl 2-methylprop-2-enoate
CID 141087689
heptan-4-yl dihydrogen phosphate
CID 18763997
1-phosphonooxypentan-2-yl 2-methylprop-2-enoate
CID 141037886
[7-(2-methylprop-2-enoyloxy)-4-phosphonooxyheptyl]-tripropylazanium
CID 87326902
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 102099810
2-(acetyloxymethyl)pentyl 2-methylprop-2-enoate
CID 131979241
methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
CID 88872166
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
[3-chloro-2-[chloromethyl-[1-chloro-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxyphosphoryl]oxypropyl] 2-methylprop-2-enoate
CID 101431459

Frequently Asked Questions

What is the IUPAC name of 2-phosphonooxypentyl 2-methylprop-2-enoate?
The IUPAC name of 2-phosphonooxypentyl 2-methylprop-2-enoate (CID 170162383) is 2-phosphonooxypentyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-phosphonooxypentyl 2-methylprop-2-enoate?
The canonical SMILES for 2-phosphonooxypentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCC)OP(=O)(O)O.
What is the InChIKey of 2-phosphonooxypentyl 2-methylprop-2-enoate?
The InChIKey is VBAGCMRFKYPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O6P/c1-4-5-8(15-16(11,12)13)6-14-9(10)7(2)3/h8H,2,4-6H2,1,3H3,(H2,11,12,13).
What are the key properties of 2-phosphonooxypentyl 2-methylprop-2-enoate?
2-phosphonooxypentyl 2-methylprop-2-enoate has a molecular weight of 252.20 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonooxypentyl 2-methylprop-2-enoate is sourced from PubChem (CID 170162383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).