2-(hexadecoxymethyl)-5-methyloxolane

C22H44O2 — CID 68865458

IUPAC2-(hexadecoxymethyl)-5-methyloxolane
SMILESCCCCCCCCCCCCCCCCOCC1CCC(C)O1
InChIInChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-22-18-17-21(2)24-22/h21-22H,3-20H2,1-2H3
InChIKeyUUWUPIISGKIQJX-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.05
Rot. Bonds17

About 2-(hexadecoxymethyl)-5-methyloxolane

2-(hexadecoxymethyl)-5-methyloxolane (PubChem CID 68865458) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-(hexadecoxymethyl)-5-methyloxolane.

Molecular Properties

Compound Name2-(hexadecoxymethyl)-5-methyloxolane
PubChem CID68865458
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2-(hexadecoxymethyl)-5-methyloxolane
SMILESCCCCCCCCCCCCCCCCOCC1CCC(C)O1
InChIInChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-22-18-17-21(2)24-22/h21-22H,3-20H2,1-2H3
InChIKeyUUWUPIISGKIQJX-UHFFFAOYSA-N
XLogP7.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.05
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-(hexadecoxymethyl)-5-methyloxolane?
The IUPAC name of 2-(hexadecoxymethyl)-5-methyloxolane (CID 68865458) is 2-(hexadecoxymethyl)-5-methyloxolane.
What is the SMILES notation for 2-(hexadecoxymethyl)-5-methyloxolane?
The canonical SMILES for 2-(hexadecoxymethyl)-5-methyloxolane is CCCCCCCCCCCCCCCCOCC1CCC(C)O1.
What is the InChIKey of 2-(hexadecoxymethyl)-5-methyloxolane?
The InChIKey is UUWUPIISGKIQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-22-18-17-21(2)24-22/h21-22H,3-20H2,1-2H3.
What are the key properties of 2-(hexadecoxymethyl)-5-methyloxolane?
2-(hexadecoxymethyl)-5-methyloxolane has a molecular weight of 340.59 g/mol, XLogP of 7.05, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecoxymethyl)-5-methyloxolane is sourced from PubChem (CID 68865458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).