[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate

C16H29O5P — CID 167150331

IUPAC[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)C(C)(CC(C)(C)C)PC
InChIInChI=1S/C16H29O5P/c1-11(2)13(18)20-8-12(17)9-21-14(19)16(6,22-7)10-15(3,4)5/h12,17,22H,1,8-10H2,2-7H3
InChIKeyBHCVTNFBSZUVSM-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.51
Rot. Bonds8

About [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate

[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate (PubChem CID 167150331) has the molecular formula C16H29O5P and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate
PubChem CID167150331
Molecular FormulaC16H29O5P
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate
SMILESC=C(C)C(=O)OCC(O)COC(=O)C(C)(CC(C)(C)C)PC
InChIInChI=1S/C16H29O5P/c1-11(2)13(18)20-8-12(17)9-21-14(19)16(6,22-7)10-15(3,4)5/h12,17,22H,1,8-10H2,2-7H3
InChIKeyBHCVTNFBSZUVSM-UHFFFAOYSA-N
XLogP2.51
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3-oxoprop-1-en-2-yl]oxy-2-methylpropanoate
CID 146474080
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-amino-2-methylbutanoate
CID 146532690
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate
CID 123927218
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (E)-hex-3-enedioate
CID 20697152
(5-tert-butyl-2-hydroxy-7,7-dimethyl-4-oxooctyl) 2-methylprop-2-enoate
CID 89150629

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate?
The IUPAC name of [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate (CID 167150331) is [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate.
What is the SMILES notation for [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate?
The canonical SMILES for [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate is C=C(C)C(=O)OCC(O)COC(=O)C(C)(CC(C)(C)C)PC.
What is the InChIKey of [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate?
The InChIKey is BHCVTNFBSZUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O5P/c1-11(2)13(18)20-8-12(17)9-21-14(19)16(6,22-7)10-15(3,4)5/h12,17,22H,1,8-10H2,2-7H3.
What are the key properties of [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate?
[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate has a molecular weight of 332.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2,4,4-trimethyl-2-methylphosphanylpentanoate is sourced from PubChem (CID 167150331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).