5-butan-2-yl-2,2-dimethyloxolane

C10H20O — CID 520663

IUPAC5-butan-2-yl-2,2-dimethyloxolane
SMILESCCC(C)C1CCC(C)(C)O1
InChIInChI=1S/C10H20O/c1-5-8(2)9-6-7-10(3,4)11-9/h8-9H,5-7H2,1-4H3
InChIKeyKGTIVYATFDLQDC-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds2

About 5-butan-2-yl-2,2-dimethyloxolane

5-butan-2-yl-2,2-dimethyloxolane (PubChem CID 520663) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-butan-2-yl-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-butan-2-yl-2,2-dimethyloxolane
PubChem CID520663
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name5-butan-2-yl-2,2-dimethyloxolane
SMILESCCC(C)C1CCC(C)(C)O1
InChIInChI=1S/C10H20O/c1-5-8(2)9-6-7-10(3,4)11-9/h8-9H,5-7H2,1-4H3
InChIKeyKGTIVYATFDLQDC-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,2-dimethyloxolane?
The IUPAC name of 5-butan-2-yl-2,2-dimethyloxolane (CID 520663) is 5-butan-2-yl-2,2-dimethyloxolane.
What is the SMILES notation for 5-butan-2-yl-2,2-dimethyloxolane?
The canonical SMILES for 5-butan-2-yl-2,2-dimethyloxolane is CCC(C)C1CCC(C)(C)O1.
What is the InChIKey of 5-butan-2-yl-2,2-dimethyloxolane?
The InChIKey is KGTIVYATFDLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8(2)9-6-7-10(3,4)11-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,2-dimethyloxolane?
5-butan-2-yl-2,2-dimethyloxolane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,2-dimethyloxolane is sourced from PubChem (CID 520663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).