(4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol

C12H24NO3+ — CID 1401343

IUPAC(4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol
SMILESCC1(C)C[C@@H](O)[C@@H](C[NH+]2CCOCC2)CO1
InChIInChI=1S/C12H23NO3/c1-12(2)7-11(14)10(9-16-12)8-13-3-5-15-6-4-13/h10-11,14H,3-9H2,1-2H3/p+1/t10-,11+/m0/s1
InChIKeyTYQFREFRVKDNGT-WDEREUQCSA-O
MW230.33 g/mol
LogP-0.92
Rot. Bonds2

About (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol

(4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol (PubChem CID 1401343) has the molecular formula C12H24NO3+ and a molecular weight of 230.33 g/mol. Its IUPAC name is (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name(4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol
PubChem CID1401343
Molecular FormulaC12H24NO3+
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name(4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol
SMILESCC1(C)C[C@@H](O)[C@@H](C[NH+]2CCOCC2)CO1
InChIInChI=1S/C12H23NO3/c1-12(2)7-11(14)10(9-16-12)8-13-3-5-15-6-4-13/h10-11,14H,3-9H2,1-2H3/p+1/t10-,11+/m0/s1
InChIKeyTYQFREFRVKDNGT-WDEREUQCSA-O
XLogP-0.92
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2,2-dimethyloxan-4-ol
CID 123616838
(4S,5S)-5-amino-2,2-dimethyloxan-4-ol
CID 118036455
4-[[(2S)-oxiran-2-yl]methyl]morpholin-4-ium
CID 6993792
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
(4R,5S)-5-(2-carboxylatoethyl)-2,2-dimethyloxane-4-carboxylate
CID 6954943
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol
CID 118038763
5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461887
4-(2,2-difluoropropyl)-2,2-dimethyloxolane
CID 143114832
[(4R,5S)-5-hydroxy-2,2-dimethyloxan-4-yl] carbamate
CID 139541071
2-morpholin-4-ium-4-ylethanol iodide
CID 89439326
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
CID 91440624

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol?
The IUPAC name of (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol (CID 1401343) is (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol.
What is the SMILES notation for (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol?
The canonical SMILES for (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol is CC1(C)C[C@@H](O)[C@@H](C[NH+]2CCOCC2)CO1.
What is the InChIKey of (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol?
The InChIKey is TYQFREFRVKDNGT-WDEREUQCSA-O. The full InChI is InChI=1S/C12H23NO3/c1-12(2)7-11(14)10(9-16-12)8-13-3-5-15-6-4-13/h10-11,14H,3-9H2,1-2H3/p+1/t10-,11+/m0/s1.
What are the key properties of (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol?
(4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol has a molecular weight of 230.33 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,2-dimethyl-5-(morpholin-4-ium-4-ylmethyl)oxan-4-ol is sourced from PubChem (CID 1401343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).