2-(5-cyclopropyloxan-2-yl)propane-1,3-diol

C11H20O3 — CID 71072578

IUPAC2-(5-cyclopropyloxan-2-yl)propane-1,3-diol
SMILESOCC(CO)C1CCC(C2CC2)CO1
InChIInChI=1S/C11H20O3/c12-5-10(6-13)11-4-3-9(7-14-11)8-1-2-8/h8-13H,1-7H2
InChIKeyGJWNBFJROYYWLK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.79
Rot. Bonds4

About 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol

2-(5-cyclopropyloxan-2-yl)propane-1,3-diol (PubChem CID 71072578) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(5-cyclopropyloxan-2-yl)propane-1,3-diol
PubChem CID71072578
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(5-cyclopropyloxan-2-yl)propane-1,3-diol
SMILESOCC(CO)C1CCC(C2CC2)CO1
InChIInChI=1S/C11H20O3/c12-5-10(6-13)11-4-3-9(7-14-11)8-1-2-8/h8-13H,1-7H2
InChIKeyGJWNBFJROYYWLK-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol?
The IUPAC name of 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol (CID 71072578) is 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol.
What is the SMILES notation for 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol?
The canonical SMILES for 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol is OCC(CO)C1CCC(C2CC2)CO1.
What is the InChIKey of 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol?
The InChIKey is GJWNBFJROYYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-5-10(6-13)11-4-3-9(7-14-11)8-1-2-8/h8-13H,1-7H2.
What are the key properties of 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol?
2-(5-cyclopropyloxan-2-yl)propane-1,3-diol has a molecular weight of 200.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyloxan-2-yl)propane-1,3-diol is sourced from PubChem (CID 71072578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).