2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol

C10H22O5 — CID 87439986

IUPAC2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESCCOC(C)(OCC)C(CO)(CO)CO
InChIInChI=1S/C10H22O5/c1-4-14-9(3,15-5-2)10(6-11,7-12)8-13/h11-13H,4-8H2,1-3H3
InChIKeyROOJNSRUDFOCEL-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.26
Rot. Bonds8

About 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol

2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 87439986) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID87439986
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESCCOC(C)(OCC)C(CO)(CO)CO
InChIInChI=1S/C10H22O5/c1-4-14-9(3,15-5-2)10(6-11,7-12)8-13/h11-13H,4-8H2,1-3H3
InChIKeyROOJNSRUDFOCEL-UHFFFAOYSA-N
XLogP-0.26
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2,2-diethoxy-2-fluoroethanol
CID 174439051
(2R)-2-cyano-3,3-diethoxybutan-2-olate
CID 101141232
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
1,2,2-triethoxy-1-silylpropan-1-amine
CID 173454722
1,2,2-triethoxy-1-silylpropane-1-thiol
CID 173082949
2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol
CID 59558224
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2,2,5,5-tetraethoxyhexane
CID 42611383

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol (CID 87439986) is 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol is CCOC(C)(OCC)C(CO)(CO)CO.
What is the InChIKey of 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is ROOJNSRUDFOCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-4-14-9(3,15-5-2)10(6-11,7-12)8-13/h11-13H,4-8H2,1-3H3.
What are the key properties of 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 222.28 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 87439986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).