2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane

C12H24O4 — CID 11983660

IUPAC2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane
SMILESCOCOCCCCCC1(OC)CCCO1
InChIInChI=1S/C12H24O4/c1-13-11-15-9-5-3-4-7-12(14-2)8-6-10-16-12/h3-11H2,1-2H3
InChIKeyVXXOUEIMMXCUCU-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.32
Rot. Bonds9

About 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane

2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane (PubChem CID 11983660) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane.

Molecular Properties

Compound Name2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane
PubChem CID11983660
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane
SMILESCOCOCCCCCC1(OC)CCCO1
InChIInChI=1S/C12H24O4/c1-13-11-15-9-5-3-4-7-12(14-2)8-6-10-16-12/h3-11H2,1-2H3
InChIKeyVXXOUEIMMXCUCU-UHFFFAOYSA-N
XLogP2.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane?
The IUPAC name of 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane (CID 11983660) is 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane.
What is the SMILES notation for 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane?
The canonical SMILES for 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane is COCOCCCCCC1(OC)CCCO1.
What is the InChIKey of 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane?
The InChIKey is VXXOUEIMMXCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-13-11-15-9-5-3-4-7-12(14-2)8-6-10-16-12/h3-11H2,1-2H3.
What are the key properties of 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane?
2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane has a molecular weight of 232.32 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane is sourced from PubChem (CID 11983660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).