2-methyl-2-(propoxymethyl)oxolane

C9H18O2 — CID 91805546

IUPAC2-methyl-2-(propoxymethyl)oxolane
SMILESCCCOCC1(C)CCCO1
InChIInChI=1S/C9H18O2/c1-3-6-10-8-9(2)5-4-7-11-9/h3-8H2,1-2H3
InChIKeyKUJHXOIBVLSUAQ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds4

About 2-methyl-2-(propoxymethyl)oxolane

2-methyl-2-(propoxymethyl)oxolane (PubChem CID 91805546) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methyl-2-(propoxymethyl)oxolane.

Molecular Properties

Compound Name2-methyl-2-(propoxymethyl)oxolane
PubChem CID91805546
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methyl-2-(propoxymethyl)oxolane
SMILESCCCOCC1(C)CCCO1
InChIInChI=1S/C9H18O2/c1-3-6-10-8-9(2)5-4-7-11-9/h3-8H2,1-2H3
InChIKeyKUJHXOIBVLSUAQ-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propoxymethyl)oxolane?
The IUPAC name of 2-methyl-2-(propoxymethyl)oxolane (CID 91805546) is 2-methyl-2-(propoxymethyl)oxolane.
What is the SMILES notation for 2-methyl-2-(propoxymethyl)oxolane?
The canonical SMILES for 2-methyl-2-(propoxymethyl)oxolane is CCCOCC1(C)CCCO1.
What is the InChIKey of 2-methyl-2-(propoxymethyl)oxolane?
The InChIKey is KUJHXOIBVLSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-6-10-8-9(2)5-4-7-11-9/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-(propoxymethyl)oxolane?
2-methyl-2-(propoxymethyl)oxolane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propoxymethyl)oxolane is sourced from PubChem (CID 91805546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).