3-methoxy-4-(2-methylbutyl)oxolane

C10H20O2 — CID 59491023

IUPAC3-methoxy-4-(2-methylbutyl)oxolane
SMILESCCC(C)CC1COCC1OC
InChIInChI=1S/C10H20O2/c1-4-8(2)5-9-6-12-7-10(9)11-3/h8-10H,4-7H2,1-3H3
InChIKeyAORZLFDEHGSILM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.08
Rot. Bonds4

About 3-methoxy-4-(2-methylbutyl)oxolane

3-methoxy-4-(2-methylbutyl)oxolane (PubChem CID 59491023) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methoxy-4-(2-methylbutyl)oxolane.

Molecular Properties

Compound Name3-methoxy-4-(2-methylbutyl)oxolane
PubChem CID59491023
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-methoxy-4-(2-methylbutyl)oxolane
SMILESCCC(C)CC1COCC1OC
InChIInChI=1S/C10H20O2/c1-4-8(2)5-9-6-12-7-10(9)11-3/h8-10H,4-7H2,1-3H3
InChIKeyAORZLFDEHGSILM-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methylbutyl)oxolane?
The IUPAC name of 3-methoxy-4-(2-methylbutyl)oxolane (CID 59491023) is 3-methoxy-4-(2-methylbutyl)oxolane.
What is the SMILES notation for 3-methoxy-4-(2-methylbutyl)oxolane?
The canonical SMILES for 3-methoxy-4-(2-methylbutyl)oxolane is CCC(C)CC1COCC1OC.
What is the InChIKey of 3-methoxy-4-(2-methylbutyl)oxolane?
The InChIKey is AORZLFDEHGSILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-8(2)5-9-6-12-7-10(9)11-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-4-(2-methylbutyl)oxolane?
3-methoxy-4-(2-methylbutyl)oxolane has a molecular weight of 172.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methylbutyl)oxolane is sourced from PubChem (CID 59491023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).