[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane

C16H28O9 — CID 158073431

IUPAC[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
SMILESC.C=CC(=O)OCC(O)COCC(O)COCC(O)COC(=O)C=C
InChIInChI=1S/C15H24O9.CH4/c1-3-14(19)23-9-12(17)7-21-5-11(16)6-22-8-13(18)10-24-15(20)4-2;/h3-4,11-13,16-18H,1-2,5-10H2;1H4
InChIKeyFMBWZUYQHLCIPA-UHFFFAOYSA-N
MW364.39 g/mol
LogP-0.80
Rot. Bonds14

About [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane

[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane (PubChem CID 158073431) has the molecular formula C16H28O9 and a molecular weight of 364.39 g/mol. Its IUPAC name is [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane.

Molecular Properties

Compound Name[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
PubChem CID158073431
Molecular FormulaC16H28O9
Molecular Weight364.39 g/mol
Exact Mass364.17
IUPAC Name[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
SMILESC.C=CC(=O)OCC(O)COCC(O)COCC(O)COC(=O)C=C
InChIInChI=1S/C15H24O9.CH4/c1-3-14(19)23-9-12(17)7-21-5-11(16)6-22-8-13(18)10-24-15(20)4-2;/h3-4,11-13,16-18H,1-2,5-10H2;1H4
InChIKeyFMBWZUYQHLCIPA-UHFFFAOYSA-N
XLogP-0.80
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane with MolForge

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Related Compounds

(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
[3-(2-cyanoethoxy)-2-hydroxypropyl] prop-2-enoate
CID 15685476
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
CID 90382332
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143
[2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] propanoate
CID 123812223
[2-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane
CID 158252465
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557
(4,4-difluoro-2,6-dihydroxy-7-prop-2-enoyloxyheptyl) prop-2-enoate
CID 155788262
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane?
The IUPAC name of [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane (CID 158073431) is [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane.
What is the SMILES notation for [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane?
The canonical SMILES for [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane is C.C=CC(=O)OCC(O)COCC(O)COCC(O)COC(=O)C=C.
What is the InChIKey of [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane?
The InChIKey is FMBWZUYQHLCIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O9.CH4/c1-3-14(19)23-9-12(17)7-21-5-11(16)6-22-8-13(18)10-24-15(20)4-2;/h3-4,11-13,16-18H,1-2,5-10H2;1H4.
What are the key properties of [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane?
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane has a molecular weight of 364.39 g/mol, XLogP of -0.80, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane is sourced from PubChem (CID 158073431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).