2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol

C16H28O7 — CID 166530667

IUPAC2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol
SMILESC=COCC(CO)(CO)COCC(CO)(COC=C)COC=C
InChIInChI=1S/C16H28O7/c1-4-20-10-15(7-17,8-18)11-23-14-16(9-19,12-21-5-2)13-22-6-3/h4-6,17-19H,1-3,7-14H2
InChIKeyLULPOCPGUMHSMF-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.43
Rot. Bonds16

About 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol

2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol (PubChem CID 166530667) has the molecular formula C16H28O7 and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol
PubChem CID166530667
Molecular FormulaC16H28O7
Molecular Weight332.39 g/mol
Exact Mass332.18
IUPAC Name2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol
SMILESC=COCC(CO)(CO)COCC(CO)(COC=C)COC=C
InChIInChI=1S/C16H28O7/c1-4-20-10-15(7-17,8-18)11-23-14-16(9-19,12-21-5-2)13-22-6-3/h4-6,17-19H,1-3,7-14H2
InChIKeyLULPOCPGUMHSMF-UHFFFAOYSA-N
XLogP0.43
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethenoxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 22253212
2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]methyl]-3-prop-2-enoxypropoxy]methyl]propane-1,3-diol
CID 170562720
2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 11038293
3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
CID 141198690
2-[[2-[[2,2-bis(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)-3-methoxypropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 167106238
3-methoxy-2-[[3-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propan-1-ol
CID 170224357
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;heptakis(prop-2-enoic acid)
CID 175143694
1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039
2,2-bis(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;hexakis(prop-2-enoic acid)
CID 175217671
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
CID 88725463
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane;oxirane
CID 87315894

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol (CID 166530667) is 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol is C=COCC(CO)(CO)COCC(CO)(COC=C)COC=C.
What is the InChIKey of 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol?
The InChIKey is LULPOCPGUMHSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O7/c1-4-20-10-15(7-17,8-18)11-23-14-16(9-19,12-21-5-2)13-22-6-3/h4-6,17-19H,1-3,7-14H2.
What are the key properties of 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol?
2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol has a molecular weight of 332.39 g/mol, XLogP of 0.43, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-bis(ethenoxymethyl)-3-hydroxypropoxy]methyl]-2-(ethenoxymethyl)propane-1,3-diol is sourced from PubChem (CID 166530667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).