3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol

C17H35NO2 — CID 70282197

IUPAC3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol
SMILESCCCCCCCCC(C)C1CN(CCCO)CCO1
InChIInChI=1S/C17H35NO2/c1-3-4-5-6-7-8-10-16(2)17-15-18(11-9-13-19)12-14-20-17/h16-17,19H,3-15H2,1-2H3
InChIKeyOOBVNUUFYQQXBS-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.46
Rot. Bonds11

About 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol

3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol (PubChem CID 70282197) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol
PubChem CID70282197
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol
SMILESCCCCCCCCC(C)C1CN(CCCO)CCO1
InChIInChI=1S/C17H35NO2/c1-3-4-5-6-7-8-10-16(2)17-15-18(11-9-13-19)12-14-20-17/h16-17,19H,3-15H2,1-2H3
InChIKeyOOBVNUUFYQQXBS-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.46
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 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol (CID 70282197) is 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol is CCCCCCCCC(C)C1CN(CCCO)CCO1.
What is the InChIKey of 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol?
The InChIKey is OOBVNUUFYQQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-4-5-6-7-8-10-16(2)17-15-18(11-9-13-19)12-14-20-17/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol?
3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-decan-2-ylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 70282197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).