12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol

C16H33NO3 — CID 54414095

IUPAC12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol
SMILES[O-][N+]1(CCCCCCCCCCCCO)CCOCC1
InChIInChI=1S/C16H33NO3/c18-14-10-8-6-4-2-1-3-5-7-9-11-17(19)12-15-20-16-13-17/h18H,1-16H2
InChIKeyVWDQHPVNZQTKHD-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.22
Rot. Bonds12

About 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol

12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol (PubChem CID 54414095) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol.

Molecular Properties

Compound Name12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol
PubChem CID54414095
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol
SMILES[O-][N+]1(CCCCCCCCCCCCO)CCOCC1
InChIInChI=1S/C16H33NO3/c18-14-10-8-6-4-2-1-3-5-7-9-11-17(19)12-15-20-16-13-17/h18H,1-16H2
InChIKeyVWDQHPVNZQTKHD-UHFFFAOYSA-N
XLogP3.22
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol?
The IUPAC name of 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol (CID 54414095) is 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol.
What is the SMILES notation for 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol?
The canonical SMILES for 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol is [O-][N+]1(CCCCCCCCCCCCO)CCOCC1.
What is the InChIKey of 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol?
The InChIKey is VWDQHPVNZQTKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c18-14-10-8-6-4-2-1-3-5-7-9-11-17(19)12-15-20-16-13-17/h18H,1-16H2.
What are the key properties of 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol?
12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 3.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-oxidomorpholin-4-ium-4-yl)dodecan-1-ol is sourced from PubChem (CID 54414095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).