4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol

C23H49NO5 — CID 121263970

IUPAC4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCOC(C)(C)CCO)CCOC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C23H49NO5/c1-20(2,3)27-17-12-23(8,9)29-19-15-24(13-10-21(4,5)26)14-18-28-22(6,7)11-16-25/h25-26H,10-19H2,1-9H3
InChIKeyLTOZXYFXGGZERR-UHFFFAOYSA-N
MW419.65 g/mol
LogP3.63
Rot. Bonds16

About 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol

4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol (PubChem CID 121263970) has the molecular formula C23H49NO5 and a molecular weight of 419.65 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol
PubChem CID121263970
Molecular FormulaC23H49NO5
Molecular Weight419.65 g/mol
Exact Mass419.36
IUPAC Name4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN(CCOC(C)(C)CCO)CCOC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C23H49NO5/c1-20(2,3)27-17-12-23(8,9)29-19-15-24(13-10-21(4,5)26)14-18-28-22(6,7)11-16-25/h25-26H,10-19H2,1-9H3
InChIKeyLTOZXYFXGGZERR-UHFFFAOYSA-N
XLogP3.63
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol with MolForge

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Related Compounds

3-[3-[2-hydroxy-3-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxypropoxy]-3-methylbutoxy]-3-methylbutan-1-ol
CID 121265139
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
CID 155178401
1-O-[2-[bis[2-[5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-5-oxopentanoyl]oxyethyl]amino]ethyl] 5-O-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] pentanedioate
CID 91553093
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
CID 155034107
2-methyl-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]propan-2-ol
CID 111336122
3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane
CID 138501579
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
3-methyl-3-[[4-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-6-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]oxy-1,3,5,2,4,6-trioxatriborinan-2-yl]oxy]butan-1-ol
CID 174134115
3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine
CID 155135764
3-(methoxymethoxy)-3-methylbutan-1-ol
CID 55264350
3-[2-[[2,2-dimethyl-3-(2-methyl-4-sulfanylbutan-2-yl)oxypropoxy]methyl]-3-[2-methyl-4-(2-methyl-4-sulfanylbutan-2-yl)oxybutan-2-yl]oxy-2-[[2-methyl-4-(2-methyl-4-sulfanylbutan-2-yl)oxybutan-2-yl]oxymethyl]propoxy]-3-methylbutan-1-ol
CID 170100105

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol (CID 121263970) is 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol is CC(C)(O)CCN(CCOC(C)(C)CCO)CCOC(C)(C)CCOC(C)(C)C.
What is the InChIKey of 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol?
The InChIKey is LTOZXYFXGGZERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO5/c1-20(2,3)27-17-12-23(8,9)29-19-15-24(13-10-21(4,5)26)14-18-28-22(6,7)11-16-25/h25-26H,10-19H2,1-9H3.
What are the key properties of 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol?
4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol has a molecular weight of 419.65 g/mol, XLogP of 3.63, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 121263970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).