N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol

C65H125NO20 — CID 160548523

IUPACN,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol
SMILESCCCCCCOC(C)(C)CCC(=O)CC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CCCCCCOC(C)(C)CCC(=O)CC1OC(COC(C)=O)C(OC2OC(CC)C(C)C(C)C2C)C(C)C1C.CCN(CC)CC.CO
InChIInChI=1S/C33H60O7.C25H46O12.C6H15N.CH4O/c1-11-13-14-15-18-37-33(9,10)17-16-27(35)19-29-23(5)24(6)31(30(38-29)20-36-26(8)34)40-32-25(7)21(3)22(4)28(12-2)39-32;1-4-5-6-7-10-34-25(2,3)9-8-14(28)11-15-18(29)21(32)23(17(13-27)35-15)37-24-22(33)20(31)19(30)16(12-26)36-24;1-4-7(5-2)6-3;1-2/h21-25,28-32H,11-20H2,1-10H3;15-24,26-27,29-33H,4-13H2,1-3H3;4-6H2,1-3H3;2H,1H3
InChIKeyQXTCNKUQUICFLR-UHFFFAOYSA-N
MW1240.70 g/mol
LogP6.86
Rot. Bonds34

About N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol

N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol (PubChem CID 160548523) has the molecular formula C65H125NO20 and a molecular weight of 1240.70 g/mol. Its IUPAC name is N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol.

Molecular Properties

Compound NameN,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol
PubChem CID160548523
Molecular FormulaC65H125NO20
Molecular Weight1240.70 g/mol
Exact Mass1239.88
IUPAC NameN,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol
SMILESCCCCCCOC(C)(C)CCC(=O)CC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CCCCCCOC(C)(C)CCC(=O)CC1OC(COC(C)=O)C(OC2OC(CC)C(C)C(C)C2C)C(C)C1C.CCN(CC)CC.CO
InChIInChI=1S/C33H60O7.C25H46O12.C6H15N.CH4O/c1-11-13-14-15-18-37-33(9,10)17-16-27(35)19-29-23(5)24(6)31(30(38-29)20-36-26(8)34)40-32-25(7)21(3)22(4)28(12-2)39-32;1-4-5-6-7-10-34-25(2,3)9-8-14(28)11-15-18(29)21(32)23(17(13-27)35-15)37-24-22(33)20(31)19(30)16(12-26)36-24;1-4-7(5-2)6-3;1-2/h21-25,28-32H,11-20H2,1-10H3;15-24,26-27,29-33H,4-13H2,1-3H3;4-6H2,1-3H3;2H,1H3
InChIKeyQXTCNKUQUICFLR-UHFFFAOYSA-N
XLogP6.86
TPSA299.36 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.70
LogP ≤ 56.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol?
The IUPAC name of N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol (CID 160548523) is N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol.
What is the SMILES notation for N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol?
The canonical SMILES for N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol is CCCCCCOC(C)(C)CCC(=O)CC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CCCCCCOC(C)(C)CCC(=O)CC1OC(COC(C)=O)C(OC2OC(CC)C(C)C(C)C2C)C(C)C1C.CCN(CC)CC.CO.
What is the InChIKey of N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol?
The InChIKey is QXTCNKUQUICFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O7.C25H46O12.C6H15N.CH4O/c1-11-13-14-15-18-37-33(9,10)17-16-27(35)19-29-23(5)24(6)31(30(38-29)20-36-26(8)34)40-32-25(7)21(3)22(4)28(12-2)39-32;1-4-5-6-7-10-34-25(2,3)9-8-14(28)11-15-18(29)21(32)23(17(13-27)35-15)37-24-22(33)20(31)19(30)16(12-26)36-24;1-4-7(5-2)6-3;1-2/h21-25,28-32H,11-20H2,1-10H3;15-24,26-27,29-33H,4-13H2,1-3H3;4-6H2,1-3H3;2H,1H3.
What are the key properties of N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol?
N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol has a molecular weight of 1240.70 g/mol, XLogP of 6.86, 34 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hexoxy-5-methylhexan-2-one;[3-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-6-(5-hexoxy-5-methyl-2-oxohexyl)-4,5-dimethyloxan-2-yl]methyl acetate;methanol is sourced from PubChem (CID 160548523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).