5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one

C10H18O2 — CID 27589

IUPAC5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one
SMILESCC1CC(C(C)C(C)C)C(=O)O1
InChIInChI=1S/C10H18O2/c1-6(2)8(4)9-5-7(3)12-10(9)11/h6-9H,5H2,1-4H3
InChIKeyIBZPZEZGVVMSMM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.23
Rot. Bonds2

About 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one

5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one (PubChem CID 27589) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one
PubChem CID27589
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one
SMILESCC1CC(C(C)C(C)C)C(=O)O1
InChIInChI=1S/C10H18O2/c1-6(2)8(4)9-5-7(3)12-10(9)11/h6-9H,5H2,1-4H3
InChIKeyIBZPZEZGVVMSMM-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 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one?
The IUPAC name of 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one (CID 27589) is 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one.
What is the SMILES notation for 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one?
The canonical SMILES for 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one is CC1CC(C(C)C(C)C)C(=O)O1.
What is the InChIKey of 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one?
The InChIKey is IBZPZEZGVVMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)8(4)9-5-7(3)12-10(9)11/h6-9H,5H2,1-4H3.
What are the key properties of 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one?
5-methyl-3-(3-methylbutan-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 5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one is sourced from PubChem (CID 27589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).