2-(butoxymethyl)-5-methyloxolane

C10H20O2 — CID 77157020

IUPAC2-(butoxymethyl)-5-methyloxolane
SMILESCCCCOCC1CCC(C)O1
InChIInChI=1S/C10H20O2/c1-3-4-7-11-8-10-6-5-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKeyIIIISGDNSCFWEL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.37
Rot. Bonds5

About 2-(butoxymethyl)-5-methyloxolane

2-(butoxymethyl)-5-methyloxolane (PubChem CID 77157020) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(butoxymethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(butoxymethyl)-5-methyloxolane
PubChem CID77157020
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(butoxymethyl)-5-methyloxolane
SMILESCCCCOCC1CCC(C)O1
InChIInChI=1S/C10H20O2/c1-3-4-7-11-8-10-6-5-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKeyIIIISGDNSCFWEL-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.37
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-(butoxymethyl)-5-methyloxolane?
The IUPAC name of 2-(butoxymethyl)-5-methyloxolane (CID 77157020) is 2-(butoxymethyl)-5-methyloxolane.
What is the SMILES notation for 2-(butoxymethyl)-5-methyloxolane?
The canonical SMILES for 2-(butoxymethyl)-5-methyloxolane is CCCCOCC1CCC(C)O1.
What is the InChIKey of 2-(butoxymethyl)-5-methyloxolane?
The InChIKey is IIIISGDNSCFWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-7-11-8-10-6-5-9(2)12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(butoxymethyl)-5-methyloxolane?
2-(butoxymethyl)-5-methyloxolane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-5-methyloxolane is sourced from PubChem (CID 77157020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).