5-methyl-3-propan-2-yloxolan-2-one

C8H14O2 — CID 29717

IUPAC5-methyl-3-propan-2-yloxolan-2-one
SMILESCC1CC(C(C)C)C(=O)O1
InChIInChI=1S/C8H14O2/c1-5(2)7-4-6(3)10-8(7)9/h5-7H,4H2,1-3H3
InChIKeyPPHPZDDPFUWDFO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.59
Rot. Bonds1

About 5-methyl-3-propan-2-yloxolan-2-one

5-methyl-3-propan-2-yloxolan-2-one (PubChem CID 29717) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-propan-2-yloxolan-2-one
PubChem CID29717
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-methyl-3-propan-2-yloxolan-2-one
SMILESCC1CC(C(C)C)C(=O)O1
InChIInChI=1S/C8H14O2/c1-5(2)7-4-6(3)10-8(7)9/h5-7H,4H2,1-3H3
InChIKeyPPHPZDDPFUWDFO-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yloxolan-2-one?
The IUPAC name of 5-methyl-3-propan-2-yloxolan-2-one (CID 29717) is 5-methyl-3-propan-2-yloxolan-2-one.
What is the SMILES notation for 5-methyl-3-propan-2-yloxolan-2-one?
The canonical SMILES for 5-methyl-3-propan-2-yloxolan-2-one is CC1CC(C(C)C)C(=O)O1.
What is the InChIKey of 5-methyl-3-propan-2-yloxolan-2-one?
The InChIKey is PPHPZDDPFUWDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)7-4-6(3)10-8(7)9/h5-7H,4H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yloxolan-2-one?
5-methyl-3-propan-2-yloxolan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yloxolan-2-one is sourced from PubChem (CID 29717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).