(6,6-dimethyl-4-octylmorpholin-2-yl)methanol

C15H31NO2 — CID 114779668

IUPAC(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
SMILESCCCCCCCCN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H31NO2/c1-4-5-6-7-8-9-10-16-11-14(12-17)18-15(2,3)13-16/h14,17H,4-13H2,1-3H3
InChIKeyXKQQWTPOYPYESH-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.82
Rot. Bonds8

About (6,6-dimethyl-4-octylmorpholin-2-yl)methanol

(6,6-dimethyl-4-octylmorpholin-2-yl)methanol (PubChem CID 114779668) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (6,6-dimethyl-4-octylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
PubChem CID114779668
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(6,6-dimethyl-4-octylmorpholin-2-yl)methanol
SMILESCCCCCCCCN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H31NO2/c1-4-5-6-7-8-9-10-16-11-14(12-17)18-15(2,3)13-16/h14,17H,4-13H2,1-3H3
InChIKeyXKQQWTPOYPYESH-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.82
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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Related Compounds

6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]pyrrolidine-2,5-dione
CID 114779883
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
(6,6-dimethyl-4-prop-2-enylmorpholin-2-yl)methanol
CID 114779640
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
[6,6-dimethyl-4-[(3-propylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 114779787
3-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 114779631

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-4-octylmorpholin-2-yl)methanol?
The IUPAC name of (6,6-dimethyl-4-octylmorpholin-2-yl)methanol (CID 114779668) is (6,6-dimethyl-4-octylmorpholin-2-yl)methanol.
What is the SMILES notation for (6,6-dimethyl-4-octylmorpholin-2-yl)methanol?
The canonical SMILES for (6,6-dimethyl-4-octylmorpholin-2-yl)methanol is CCCCCCCCN1CC(CO)OC(C)(C)C1.
What is the InChIKey of (6,6-dimethyl-4-octylmorpholin-2-yl)methanol?
The InChIKey is XKQQWTPOYPYESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-5-6-7-8-9-10-16-11-14(12-17)18-15(2,3)13-16/h14,17H,4-13H2,1-3H3.
What are the key properties of (6,6-dimethyl-4-octylmorpholin-2-yl)methanol?
(6,6-dimethyl-4-octylmorpholin-2-yl)methanol has a molecular weight of 257.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-4-octylmorpholin-2-yl)methanol is sourced from PubChem (CID 114779668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).