4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine

C21H41NO2 — CID 70350891

IUPAC4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine
SMILESCC(C)[C@@H]1[C@@H](CN2CCOCC2)O[C@@H](C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C21H41NO2/c1-14(2)19-18(13-22-9-11-23-12-10-22)24-20(15(3)4)21(19,16(5)6)17(7)8/h14-20H,9-13H2,1-8H3/t18-,19-,20+/m1/s1
InChIKeyCKRFHEQHBVFTQM-AQNXPRMDSA-N
MW339.56 g/mol
LogP4.31
Rot. Bonds6

About 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine

4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine (PubChem CID 70350891) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine
PubChem CID70350891
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine
SMILESCC(C)[C@@H]1[C@@H](CN2CCOCC2)O[C@@H](C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C21H41NO2/c1-14(2)19-18(13-22-9-11-23-12-10-22)24-20(15(3)4)21(19,16(5)6)17(7)8/h14-20H,9-13H2,1-8H3/t18-,19-,20+/m1/s1
InChIKeyCKRFHEQHBVFTQM-AQNXPRMDSA-N
XLogP4.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine (CID 70350891) is 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine is CC(C)[C@@H]1[C@@H](CN2CCOCC2)O[C@@H](C(C)C)C1(C(C)C)C(C)C.
What is the InChIKey of 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine?
The InChIKey is CKRFHEQHBVFTQM-AQNXPRMDSA-N. The full InChI is InChI=1S/C21H41NO2/c1-14(2)19-18(13-22-9-11-23-12-10-22)24-20(15(3)4)21(19,16(5)6)17(7)8/h14-20H,9-13H2,1-8H3/t18-,19-,20+/m1/s1.
What are the key properties of 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine?
4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine has a molecular weight of 339.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3S,5S)-3,4,4,5-tetra(propan-2-yl)oxolan-2-yl]methyl]morpholine is sourced from PubChem (CID 70350891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).