2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol

C13H23NO2 — CID 2840213

IUPAC2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCC(C)(C)C(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C13H23NO2/c1-12(2,3)13(4,15)6-5-7-14-8-10-16-11-9-14/h15H,7-11H2,1-4H3
InChIKeyBSMJFAQZGXEFJC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.12
Rot. Bonds1

About 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol

2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol (PubChem CID 2840213) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol
PubChem CID2840213
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCC(C)(C)C(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C13H23NO2/c1-12(2,3)13(4,15)6-5-7-14-8-10-16-11-9-14/h15H,7-11H2,1-4H3
InChIKeyBSMJFAQZGXEFJC-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol?
The IUPAC name of 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol (CID 2840213) is 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol.
What is the SMILES notation for 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol?
The canonical SMILES for 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol is CC(C)(C)C(C)(O)C#CCN1CCOCC1.
What is the InChIKey of 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol?
The InChIKey is BSMJFAQZGXEFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)13(4,15)6-5-7-14-8-10-16-11-9-14/h15H,7-11H2,1-4H3.
What are the key properties of 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol?
2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-6-morpholin-4-ylhex-4-yn-3-ol is sourced from PubChem (CID 2840213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).