(5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane

C12H24O2 — CID 46863241

IUPAC(5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane
SMILESCCO[C@H]1CCC(C(C)C)(C(C)C)O1
InChIInChI=1S/C12H24O2/c1-6-13-11-7-8-12(14-11,9(2)3)10(4)5/h9-11H,6-8H2,1-5H3/t11-/m1/s1
InChIKeyQMWPXFLHFXVYAO-LLVKDONJSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds4

About (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane

(5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane (PubChem CID 46863241) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane.

Molecular Properties

Compound Name(5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane
PubChem CID46863241
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane
SMILESCCO[C@H]1CCC(C(C)C)(C(C)C)O1
InChIInChI=1S/C12H24O2/c1-6-13-11-7-8-12(14-11,9(2)3)10(4)5/h9-11H,6-8H2,1-5H3/t11-/m1/s1
InChIKeyQMWPXFLHFXVYAO-LLVKDONJSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane?
The IUPAC name of (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane (CID 46863241) is (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane.
What is the SMILES notation for (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane?
The canonical SMILES for (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane is CCO[C@H]1CCC(C(C)C)(C(C)C)O1.
What is the InChIKey of (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane?
The InChIKey is QMWPXFLHFXVYAO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-13-11-7-8-12(14-11,9(2)3)10(4)5/h9-11H,6-8H2,1-5H3/t11-/m1/s1.
What are the key properties of (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane?
(5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethoxy-2,2-di(propan-2-yl)oxolane is sourced from PubChem (CID 46863241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).