2-(3-methylbutyl)oxolane

C9H18O — CID 12508223

IUPAC2-(3-methylbutyl)oxolane
SMILESCC(C)CCC1CCCO1
InChIInChI=1S/C9H18O/c1-8(2)5-6-9-4-3-7-10-9/h8-9H,3-7H2,1-2H3
InChIKeyVAELCGFSSKKYLZ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-methylbutyl)oxolane

2-(3-methylbutyl)oxolane (PubChem CID 12508223) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-(3-methylbutyl)oxolane.

Molecular Properties

Compound Name2-(3-methylbutyl)oxolane
PubChem CID12508223
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-(3-methylbutyl)oxolane
SMILESCC(C)CCC1CCCO1
InChIInChI=1S/C9H18O/c1-8(2)5-6-9-4-3-7-10-9/h8-9H,3-7H2,1-2H3
InChIKeyVAELCGFSSKKYLZ-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)oxolane?
The IUPAC name of 2-(3-methylbutyl)oxolane (CID 12508223) is 2-(3-methylbutyl)oxolane.
What is the SMILES notation for 2-(3-methylbutyl)oxolane?
The canonical SMILES for 2-(3-methylbutyl)oxolane is CC(C)CCC1CCCO1.
What is the InChIKey of 2-(3-methylbutyl)oxolane?
The InChIKey is VAELCGFSSKKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)5-6-9-4-3-7-10-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)oxolane?
2-(3-methylbutyl)oxolane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)oxolane is sourced from PubChem (CID 12508223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).