3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol

C11H24O5 — CID 15582206

IUPAC3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol
SMILESCC(C)OC(COCC(O)CO)OC(C)C
InChIInChI=1S/C11H24O5/c1-8(2)15-11(16-9(3)4)7-14-6-10(13)5-12/h8-13H,5-7H2,1-4H3
InChIKeyYSUDJZUKELJNHQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.53
Rot. Bonds9

About 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol

3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol (PubChem CID 15582206) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol
PubChem CID15582206
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol
SMILESCC(C)OC(COCC(O)CO)OC(C)C
InChIInChI=1S/C11H24O5/c1-8(2)15-11(16-9(3)4)7-14-6-10(13)5-12/h8-13H,5-7H2,1-4H3
InChIKeyYSUDJZUKELJNHQ-UHFFFAOYSA-N
XLogP0.53
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol?
The IUPAC name of 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol (CID 15582206) is 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol?
The canonical SMILES for 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol is CC(C)OC(COCC(O)CO)OC(C)C.
What is the InChIKey of 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol?
The InChIKey is YSUDJZUKELJNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-8(2)15-11(16-9(3)4)7-14-6-10(13)5-12/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol?
3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol has a molecular weight of 236.31 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-di(propan-2-yloxy)ethoxy]propane-1,2-diol is sourced from PubChem (CID 15582206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).