2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

C16H31NO3 — CID 114622674

IUPAC2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)C(C)(C)N2CCOCC2)C(C)(C)O1
InChIInChI=1S/C16H31NO3/c1-14(2)11-12(16(5,6)20-14)13(18)15(3,4)17-7-9-19-10-8-17/h12-13,18H,7-11H2,1-6H3
InChIKeyPAEBQVMUSNMJHN-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (PubChem CID 114622674) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
PubChem CID114622674
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)C(C)(C)N2CCOCC2)C(C)(C)O1
InChIInChI=1S/C16H31NO3/c1-14(2)11-12(16(5,6)20-14)13(18)15(3,4)17-7-9-19-10-8-17/h12-13,18H,7-11H2,1-6H3
InChIKeyPAEBQVMUSNMJHN-UHFFFAOYSA-N
XLogP2.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (CID 114622674) is 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is CC1(C)CC(C(O)C(C)(C)N2CCOCC2)C(C)(C)O1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The InChIKey is PAEBQVMUSNMJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-14(2)11-12(16(5,6)20-14)13(18)15(3,4)17-7-9-19-10-8-17/h12-13,18H,7-11H2,1-6H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is sourced from PubChem (CID 114622674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).