2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane

C32H64O11 — CID 560228

IUPAC2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane
SMILESCOCC(OC)C(OC)C(C)C(OC)C(C)C(CC(OC1OC(C)C(OC)C(OC)C1OC)C(C)C(OC)C(C)C)OC
InChIInChI=1S/C32H64O11/c1-18(2)26(36-10)20(4)24(43-32-31(41-15)30(40-14)29(39-13)22(6)42-32)16-23(34-8)19(3)27(37-11)21(5)28(38-12)25(35-9)17-33-7/h18-32H,16-17H2,1-15H3
InChIKeyOLFNXEWKUWAKMJ-UHFFFAOYSA-N
MW624.85 g/mol
LogP3.84
Rot. Bonds22

About 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane

2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane (PubChem CID 560228) has the molecular formula C32H64O11 and a molecular weight of 624.85 g/mol. Its IUPAC name is 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane.

Molecular Properties

Compound Name2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane
PubChem CID560228
Molecular FormulaC32H64O11
Molecular Weight624.85 g/mol
Exact Mass624.44
IUPAC Name2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane
SMILESCOCC(OC)C(OC)C(C)C(OC)C(C)C(CC(OC1OC(C)C(OC)C(OC)C1OC)C(C)C(OC)C(C)C)OC
InChIInChI=1S/C32H64O11/c1-18(2)26(36-10)20(4)24(43-32-31(41-15)30(40-14)29(39-13)22(6)42-32)16-23(34-8)19(3)27(37-11)21(5)28(38-12)25(35-9)17-33-7/h18-32H,16-17H2,1-15H3
InChIKeyOLFNXEWKUWAKMJ-UHFFFAOYSA-N
XLogP3.84
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.85
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,7,11-trimethyldodecoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137639178
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,7,11-trimethyldodecoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137659280
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(7-hydroxy-3,7-dimethyloctoxy)oxane-3,4,5-triol
CID 145963176
(3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpentatriacontan-17-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71716001
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-6-(2,32-dimethyltetratriacontan-17-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71716002
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3-methylpentatriacontan-18-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71716003
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3-methylhexatriacontan-18-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71716601
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methyltetratriacontan-17-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71716602
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(32-methyltetratriacontan-17-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71718460
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-6-(2,32-dimethyltritriacontan-17-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71718461
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methyltritriacontan-17-yloxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71719043
(3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-6-(3,33-dimethylpentatriacontan-18-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71719044

Frequently Asked Questions

What is the IUPAC name of 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane?
The IUPAC name of 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane (CID 560228) is 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane.
What is the SMILES notation for 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane?
The canonical SMILES for 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane is COCC(OC)C(OC)C(C)C(OC)C(C)C(CC(OC1OC(C)C(OC)C(OC)C1OC)C(C)C(OC)C(C)C)OC.
What is the InChIKey of 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane?
The InChIKey is OLFNXEWKUWAKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O11/c1-18(2)26(36-10)20(4)24(43-32-31(41-15)30(40-14)29(39-13)22(6)42-32)16-23(34-8)19(3)27(37-11)21(5)28(38-12)25(35-9)17-33-7/h18-32H,16-17H2,1-15H3.
What are the key properties of 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane?
2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane has a molecular weight of 624.85 g/mol, XLogP of 3.84, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,9,11,12,13-hexamethoxy-2,4,8,10-tetramethyltridecan-5-yl)oxy-3,4,5-trimethoxy-6-methyloxane is sourced from PubChem (CID 560228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).