5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one

C15H28O2 — CID 66827323

IUPAC5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one
SMILESCCC(C)(C)C1(CC(C)C)CC(C)(C)OC1=O
InChIInChI=1S/C15H28O2/c1-8-13(4,5)15(9-11(2)3)10-14(6,7)17-12(15)16/h11H,8-10H2,1-7H3
InChIKeyFBWPJEKJMNTVNM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.18
Rot. Bonds4

About 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one

5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one (PubChem CID 66827323) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one
PubChem CID66827323
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one
SMILESCCC(C)(C)C1(CC(C)C)CC(C)(C)OC1=O
InChIInChI=1S/C15H28O2/c1-8-13(4,5)15(9-11(2)3)10-14(6,7)17-12(15)16/h11H,8-10H2,1-7H3
InChIKeyFBWPJEKJMNTVNM-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one?
The IUPAC name of 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one (CID 66827323) is 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one is CCC(C)(C)C1(CC(C)C)CC(C)(C)OC1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one?
The InChIKey is FBWPJEKJMNTVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-8-13(4,5)15(9-11(2)3)10-14(6,7)17-12(15)16/h11H,8-10H2,1-7H3.
What are the key properties of 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one?
5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one has a molecular weight of 240.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylbutan-2-yl)-3-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 66827323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).