2-(2-methylpropyl)oxolane

C8H16O — CID 14242113

IUPAC2-(2-methylpropyl)oxolane
SMILESCC(C)CC1CCCO1
InChIInChI=1S/C8H16O/c1-7(2)6-8-4-3-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyYCRIFATXXXUQRB-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-methylpropyl)oxolane

2-(2-methylpropyl)oxolane (PubChem CID 14242113) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name2-(2-methylpropyl)oxolane
PubChem CID14242113
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-(2-methylpropyl)oxolane
SMILESCC(C)CC1CCCO1
InChIInChI=1S/C8H16O/c1-7(2)6-8-4-3-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyYCRIFATXXXUQRB-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)oxolane?
The IUPAC name of 2-(2-methylpropyl)oxolane (CID 14242113) is 2-(2-methylpropyl)oxolane.
What is the SMILES notation for 2-(2-methylpropyl)oxolane?
The canonical SMILES for 2-(2-methylpropyl)oxolane is CC(C)CC1CCCO1.
What is the InChIKey of 2-(2-methylpropyl)oxolane?
The InChIKey is YCRIFATXXXUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)6-8-4-3-5-9-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)oxolane?
2-(2-methylpropyl)oxolane has a molecular weight of 128.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)oxolane is sourced from PubChem (CID 14242113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).