2-butan-2-yl-4-methyloxolane

C9H18O — CID 118967499

IUPAC2-butan-2-yl-4-methyloxolane
SMILESCCC(C)C1CC(C)CO1
InChIInChI=1S/C9H18O/c1-4-8(3)9-5-7(2)6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyYZWBJTMVTJRKNH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About 2-butan-2-yl-4-methyloxolane

2-butan-2-yl-4-methyloxolane (PubChem CID 118967499) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-butan-2-yl-4-methyloxolane.

Molecular Properties

Compound Name2-butan-2-yl-4-methyloxolane
PubChem CID118967499
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-butan-2-yl-4-methyloxolane
SMILESCCC(C)C1CC(C)CO1
InChIInChI=1S/C9H18O/c1-4-8(3)9-5-7(2)6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyYZWBJTMVTJRKNH-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-methyloxolane?
The IUPAC name of 2-butan-2-yl-4-methyloxolane (CID 118967499) is 2-butan-2-yl-4-methyloxolane.
What is the SMILES notation for 2-butan-2-yl-4-methyloxolane?
The canonical SMILES for 2-butan-2-yl-4-methyloxolane is CCC(C)C1CC(C)CO1.
What is the InChIKey of 2-butan-2-yl-4-methyloxolane?
The InChIKey is YZWBJTMVTJRKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-8(3)9-5-7(2)6-10-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-methyloxolane?
2-butan-2-yl-4-methyloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-methyloxolane is sourced from PubChem (CID 118967499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).