1-morpholin-4-ylhexadecan-2-ol

C20H41NO2 — CID 57398466

IUPAC1-morpholin-4-ylhexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CN1CCOCC1
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(22)19-21-15-17-23-18-16-21/h20,22H,2-19H2,1H3
InChIKeyWJISBOHXNWYBAK-UHFFFAOYSA-N
MW327.55 g/mol
LogP4.77
Rot. Bonds15

About 1-morpholin-4-ylhexadecan-2-ol

1-morpholin-4-ylhexadecan-2-ol (PubChem CID 57398466) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 1-morpholin-4-ylhexadecan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-ylhexadecan-2-ol
PubChem CID57398466
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name1-morpholin-4-ylhexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CN1CCOCC1
InChIInChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(22)19-21-15-17-23-18-16-21/h20,22H,2-19H2,1H3
InChIKeyWJISBOHXNWYBAK-UHFFFAOYSA-N
XLogP4.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
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 1-morpholin-4-ylhexadecan-2-ol?
The IUPAC name of 1-morpholin-4-ylhexadecan-2-ol (CID 57398466) is 1-morpholin-4-ylhexadecan-2-ol.
What is the SMILES notation for 1-morpholin-4-ylhexadecan-2-ol?
The canonical SMILES for 1-morpholin-4-ylhexadecan-2-ol is CCCCCCCCCCCCCCC(O)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylhexadecan-2-ol?
The InChIKey is WJISBOHXNWYBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(22)19-21-15-17-23-18-16-21/h20,22H,2-19H2,1H3.
What are the key properties of 1-morpholin-4-ylhexadecan-2-ol?
1-morpholin-4-ylhexadecan-2-ol has a molecular weight of 327.55 g/mol, XLogP of 4.77, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylhexadecan-2-ol is sourced from PubChem (CID 57398466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).