2-(hexoxymethyl)-2-pentadecyloxolane

C26H52O2 — CID 57180127

IUPAC2-(hexoxymethyl)-2-pentadecyloxolane
SMILESCCCCCCCCCCCCCCCC1(COCCCCCC)CCCO1
InChIInChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-21-26(22-20-24-28-26)25-27-23-19-8-6-4-2/h3-25H2,1-2H3
InChIKeyNCYLRBRHNPOWPW-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.61
Rot. Bonds21

About 2-(hexoxymethyl)-2-pentadecyloxolane

2-(hexoxymethyl)-2-pentadecyloxolane (PubChem CID 57180127) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 2-(hexoxymethyl)-2-pentadecyloxolane.

Molecular Properties

Compound Name2-(hexoxymethyl)-2-pentadecyloxolane
PubChem CID57180127
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name2-(hexoxymethyl)-2-pentadecyloxolane
SMILESCCCCCCCCCCCCCCCC1(COCCCCCC)CCCO1
InChIInChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-21-26(22-20-24-28-26)25-27-23-19-8-6-4-2/h3-25H2,1-2H3
InChIKeyNCYLRBRHNPOWPW-UHFFFAOYSA-N
XLogP8.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.61
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-(hexoxymethyl)-2-pentadecyloxolane?
The IUPAC name of 2-(hexoxymethyl)-2-pentadecyloxolane (CID 57180127) is 2-(hexoxymethyl)-2-pentadecyloxolane.
What is the SMILES notation for 2-(hexoxymethyl)-2-pentadecyloxolane?
The canonical SMILES for 2-(hexoxymethyl)-2-pentadecyloxolane is CCCCCCCCCCCCCCCC1(COCCCCCC)CCCO1.
What is the InChIKey of 2-(hexoxymethyl)-2-pentadecyloxolane?
The InChIKey is NCYLRBRHNPOWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-21-26(22-20-24-28-26)25-27-23-19-8-6-4-2/h3-25H2,1-2H3.
What are the key properties of 2-(hexoxymethyl)-2-pentadecyloxolane?
2-(hexoxymethyl)-2-pentadecyloxolane has a molecular weight of 396.70 g/mol, XLogP of 8.61, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexoxymethyl)-2-pentadecyloxolane is sourced from PubChem (CID 57180127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).