3,5-di(propan-2-yl)oxolan-2-one

C10H18O2 — CID 58239098

IUPAC3,5-di(propan-2-yl)oxolan-2-one
SMILESCC(C)C1CC(C(C)C)C(=O)O1
InChIInChI=1S/C10H18O2/c1-6(2)8-5-9(7(3)4)12-10(8)11/h6-9H,5H2,1-4H3
InChIKeyOUQVHJCCLJOASR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.23
Rot. Bonds2

About 3,5-di(propan-2-yl)oxolan-2-one

3,5-di(propan-2-yl)oxolan-2-one (PubChem CID 58239098) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name3,5-di(propan-2-yl)oxolan-2-one
PubChem CID58239098
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,5-di(propan-2-yl)oxolan-2-one
SMILESCC(C)C1CC(C(C)C)C(=O)O1
InChIInChI=1S/C10H18O2/c1-6(2)8-5-9(7(3)4)12-10(8)11/h6-9H,5H2,1-4H3
InChIKeyOUQVHJCCLJOASR-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)oxolan-2-one?
The IUPAC name of 3,5-di(propan-2-yl)oxolan-2-one (CID 58239098) is 3,5-di(propan-2-yl)oxolan-2-one.
What is the SMILES notation for 3,5-di(propan-2-yl)oxolan-2-one?
The canonical SMILES for 3,5-di(propan-2-yl)oxolan-2-one is CC(C)C1CC(C(C)C)C(=O)O1.
What is the InChIKey of 3,5-di(propan-2-yl)oxolan-2-one?
The InChIKey is OUQVHJCCLJOASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)8-5-9(7(3)4)12-10(8)11/h6-9H,5H2,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)oxolan-2-one?
3,5-di(propan-2-yl)oxolan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)oxolan-2-one is sourced from PubChem (CID 58239098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).