2,3-di(propan-2-yl)oxolane

C10H20O — CID 13072538

IUPAC2,3-di(propan-2-yl)oxolane
SMILESCC(C)C1CCOC1C(C)C
InChIInChI=1S/C10H20O/c1-7(2)9-5-6-11-10(9)8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyQYYJVIBUQILKEF-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.70
Rot. Bonds2

About 2,3-di(propan-2-yl)oxolane

2,3-di(propan-2-yl)oxolane (PubChem CID 13072538) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)oxolane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)oxolane
PubChem CID13072538
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,3-di(propan-2-yl)oxolane
SMILESCC(C)C1CCOC1C(C)C
InChIInChI=1S/C10H20O/c1-7(2)9-5-6-11-10(9)8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyQYYJVIBUQILKEF-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)oxolane?
The IUPAC name of 2,3-di(propan-2-yl)oxolane (CID 13072538) is 2,3-di(propan-2-yl)oxolane.
What is the SMILES notation for 2,3-di(propan-2-yl)oxolane?
The canonical SMILES for 2,3-di(propan-2-yl)oxolane is CC(C)C1CCOC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)oxolane?
The InChIKey is QYYJVIBUQILKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-7(2)9-5-6-11-10(9)8(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)oxolane?
2,3-di(propan-2-yl)oxolane has a molecular weight of 156.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)oxolane is sourced from PubChem (CID 13072538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).