3-ethyl-3-propan-2-yloxolan-2-one

C9H16O2 — CID 10261321

IUPAC3-ethyl-3-propan-2-yloxolan-2-one
SMILESCCC1(C(C)C)CCOC1=O
InChIInChI=1S/C9H16O2/c1-4-9(7(2)3)5-6-11-8(9)10/h7H,4-6H2,1-3H3
InChIKeyRQXMJDAZNMCZLO-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.99
Rot. Bonds2

About 3-ethyl-3-propan-2-yloxolan-2-one

3-ethyl-3-propan-2-yloxolan-2-one (PubChem CID 10261321) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name3-ethyl-3-propan-2-yloxolan-2-one
PubChem CID10261321
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-3-propan-2-yloxolan-2-one
SMILESCCC1(C(C)C)CCOC1=O
InChIInChI=1S/C9H16O2/c1-4-9(7(2)3)5-6-11-8(9)10/h7H,4-6H2,1-3H3
InChIKeyRQXMJDAZNMCZLO-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-propan-2-yloxolan-2-one?
The IUPAC name of 3-ethyl-3-propan-2-yloxolan-2-one (CID 10261321) is 3-ethyl-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 3-ethyl-3-propan-2-yloxolan-2-one?
The canonical SMILES for 3-ethyl-3-propan-2-yloxolan-2-one is CCC1(C(C)C)CCOC1=O.
What is the InChIKey of 3-ethyl-3-propan-2-yloxolan-2-one?
The InChIKey is RQXMJDAZNMCZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(7(2)3)5-6-11-8(9)10/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-3-propan-2-yloxolan-2-one?
3-ethyl-3-propan-2-yloxolan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 10261321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).