4-methyl-5-pentan-2-yloxolan-2-one

C10H18O2 — CID 86677358

IUPAC4-methyl-5-pentan-2-yloxolan-2-one
SMILESCCCC(C)C1OC(=O)CC1C
InChIInChI=1S/C10H18O2/c1-4-5-7(2)10-8(3)6-9(11)12-10/h7-8,10H,4-6H2,1-3H3
InChIKeyBYVFFBALPUOKKX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.37
Rot. Bonds3

About 4-methyl-5-pentan-2-yloxolan-2-one

4-methyl-5-pentan-2-yloxolan-2-one (PubChem CID 86677358) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methyl-5-pentan-2-yloxolan-2-one.

Molecular Properties

Compound Name4-methyl-5-pentan-2-yloxolan-2-one
PubChem CID86677358
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methyl-5-pentan-2-yloxolan-2-one
SMILESCCCC(C)C1OC(=O)CC1C
InChIInChI=1S/C10H18O2/c1-4-5-7(2)10-8(3)6-9(11)12-10/h7-8,10H,4-6H2,1-3H3
InChIKeyBYVFFBALPUOKKX-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pentan-2-yloxolan-2-one?
The IUPAC name of 4-methyl-5-pentan-2-yloxolan-2-one (CID 86677358) is 4-methyl-5-pentan-2-yloxolan-2-one.
What is the SMILES notation for 4-methyl-5-pentan-2-yloxolan-2-one?
The canonical SMILES for 4-methyl-5-pentan-2-yloxolan-2-one is CCCC(C)C1OC(=O)CC1C.
What is the InChIKey of 4-methyl-5-pentan-2-yloxolan-2-one?
The InChIKey is BYVFFBALPUOKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-7(2)10-8(3)6-9(11)12-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 4-methyl-5-pentan-2-yloxolan-2-one?
4-methyl-5-pentan-2-yloxolan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pentan-2-yloxolan-2-one is sourced from PubChem (CID 86677358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).