2-(3-methylbutan-2-yl)oxolane

C9H18O — CID 12508226

IUPAC2-(3-methylbutan-2-yl)oxolane
SMILESCC(C)C(C)C1CCCO1
InChIInChI=1S/C9H18O/c1-7(2)8(3)9-5-4-6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyDAJGFBFRFTZYLI-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About 2-(3-methylbutan-2-yl)oxolane

2-(3-methylbutan-2-yl)oxolane (PubChem CID 12508226) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)oxolane.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)oxolane
PubChem CID12508226
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(3-methylbutan-2-yl)oxolane
SMILESCC(C)C(C)C1CCCO1
InChIInChI=1S/C9H18O/c1-7(2)8(3)9-5-4-6-10-9/h7-9H,4-6H2,1-3H3
InChIKeyDAJGFBFRFTZYLI-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-(3-methylbutan-2-yl)oxolane?
The IUPAC name of 2-(3-methylbutan-2-yl)oxolane (CID 12508226) is 2-(3-methylbutan-2-yl)oxolane.
What is the SMILES notation for 2-(3-methylbutan-2-yl)oxolane?
The canonical SMILES for 2-(3-methylbutan-2-yl)oxolane is CC(C)C(C)C1CCCO1.
What is the InChIKey of 2-(3-methylbutan-2-yl)oxolane?
The InChIKey is DAJGFBFRFTZYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)8(3)9-5-4-6-10-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yl)oxolane?
2-(3-methylbutan-2-yl)oxolane 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-(3-methylbutan-2-yl)oxolane is sourced from PubChem (CID 12508226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).