6-methyl-2-tetradecoxy-4H-3,1-benzoxazine

C23H37NO2 — CID 141058828

IUPAC6-methyl-2-tetradecoxy-4H-3,1-benzoxazine
SMILESCCCCCCCCCCCCCCOC1=Nc2ccc(C)cc2CO1
InChIInChI=1S/C23H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-23-24-22-16-15-20(2)18-21(22)19-26-23/h15-16,18H,3-14,17,19H2,1-2H3
InChIKeyCURLICANLGFWHV-UHFFFAOYSA-N
MW359.55 g/mol
LogP7.23
Rot. Bonds13

About 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine

6-methyl-2-tetradecoxy-4H-3,1-benzoxazine (PubChem CID 141058828) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine.

Molecular Properties

Compound Name6-methyl-2-tetradecoxy-4H-3,1-benzoxazine
PubChem CID141058828
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name6-methyl-2-tetradecoxy-4H-3,1-benzoxazine
SMILESCCCCCCCCCCCCCCOC1=Nc2ccc(C)cc2CO1
InChIInChI=1S/C23H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-23-24-22-16-15-20(2)18-21(22)19-26-23/h15-16,18H,3-14,17,19H2,1-2H3
InChIKeyCURLICANLGFWHV-UHFFFAOYSA-N
XLogP7.23
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine?
The IUPAC name of 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine (CID 141058828) is 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine.
What is the SMILES notation for 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine?
The canonical SMILES for 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine is CCCCCCCCCCCCCCOC1=Nc2ccc(C)cc2CO1.
What is the InChIKey of 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine?
The InChIKey is CURLICANLGFWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-23-24-22-16-15-20(2)18-21(22)19-26-23/h15-16,18H,3-14,17,19H2,1-2H3.
What are the key properties of 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine?
6-methyl-2-tetradecoxy-4H-3,1-benzoxazine has a molecular weight of 359.55 g/mol, XLogP of 7.23, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-tetradecoxy-4H-3,1-benzoxazine is sourced from PubChem (CID 141058828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).