2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol

C11H24O8 — CID 12637931

IUPAC2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)COCOCC(CO)(CO)CO
InChIInChI=1S/C11H24O8/c12-1-10(2-13,3-14)7-18-9-19-8-11(4-15,5-16)6-17/h12-17H,1-9H2
InChIKeyVQRQSFLPGGRPFF-UHFFFAOYSA-N
MW284.31 g/mol
LogP-3.10
Rot. Bonds12

About 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol

2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 12637931) has the molecular formula C11H24O8 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID12637931
Molecular FormulaC11H24O8
Molecular Weight284.31 g/mol
Exact Mass284.15
IUPAC Name2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)COCOCC(CO)(CO)CO
InChIInChI=1S/C11H24O8/c12-1-10(2-13,3-14)7-18-9-19-8-11(4-15,5-16)6-17/h12-17H,1-9H2
InChIKeyVQRQSFLPGGRPFF-UHFFFAOYSA-N
XLogP-3.10
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 5-3.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2'-[Methylenebis(oxymethylene)]bis[2-ethyl-1,3-propanediol]
CID 14847864
2,2'-((Butane-1,1-diylbis(oxy))bis(methylene))bis(2-methylpropane-1,3-diol)
CID 162183284
2-((Hydroxymethoxy)methyl)-2-(hydroxymethyl)propane-1,3-diol
CID 3023264
2-(Hydroxymethyl)-2-(((5-(hydroxymethyl)-1,3-dioxan-5-yl)methoxy)methyl)propane-1,3-diol
CID 11971048
2-(Hydroxymethyl)-2-[(methoxymethoxy)methyl]-1,3-propanediol
CID 13418080
2-Ethyl-2-((methoxymethoxy)methyl)-1,3-propanediol
CID 15066032
3-(Methoxymethoxy)-2,2-dimethylpropan-1-ol
CID 55264352
(3-Hydroxy-2,2-dimethylpropyl) propyl carbonate
CID 18991113
2-[Diethoxy(ethylperoxy)methyl]-1-ethoxy-2-(hydroxymethyl)propane-1,3-diol
CID 22728731
2-Ethyl-2-(methoxymethoxymethoxymethyl)propane-1,3-diol
CID 22947030
3-(Ethenoxymethoxy)-2,2-bis(ethenoxymethoxymethyl)propan-1-ol
CID 23397907
3-[Ethoxy-[(2-methylpropan-2-yl)oxy]methoxy]propan-1-ol
CID 53815468

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol (CID 12637931) is 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)COCOCC(CO)(CO)CO.
What is the InChIKey of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is VQRQSFLPGGRPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O8/c12-1-10(2-13,3-14)7-18-9-19-8-11(4-15,5-16)6-17/h12-17H,1-9H2.
What are the key properties of 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 284.31 g/mol, XLogP of -3.10, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methoxymethyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 12637931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).