2-(3-methylpentan-3-yl)oxolane

C10H20O — CID 59850736

IUPAC2-(3-methylpentan-3-yl)oxolane
SMILESCCC(C)(CC)C1CCCO1
InChIInChI=1S/C10H20O/c1-4-10(3,5-2)9-7-6-8-11-9/h9H,4-8H2,1-3H3
InChIKeyJMTBXSDVLDFKQD-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds3

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

2-(3-methylpentan-3-yl)oxolane (PubChem CID 59850736) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)oxolane.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)oxolane
PubChem CID59850736
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-(3-methylpentan-3-yl)oxolane
SMILESCCC(C)(CC)C1CCCO1
InChIInChI=1S/C10H20O/c1-4-10(3,5-2)9-7-6-8-11-9/h9H,4-8H2,1-3H3
InChIKeyJMTBXSDVLDFKQD-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2-(3-methylpentan-3-yl)oxolane?
The IUPAC name of 2-(3-methylpentan-3-yl)oxolane (CID 59850736) is 2-(3-methylpentan-3-yl)oxolane.
What is the SMILES notation for 2-(3-methylpentan-3-yl)oxolane?
The canonical SMILES for 2-(3-methylpentan-3-yl)oxolane is CCC(C)(CC)C1CCCO1.
What is the InChIKey of 2-(3-methylpentan-3-yl)oxolane?
The InChIKey is JMTBXSDVLDFKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-10(3,5-2)9-7-6-8-11-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)oxolane?
2-(3-methylpentan-3-yl)oxolane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)oxolane is sourced from PubChem (CID 59850736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).