(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione

C106H210O50 — CID 162006820

IUPAC(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CC[C@H](C)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C106H210O50/c1-104(106(108)7-5-11-112-17-19-116-25-27-120-33-35-124-41-43-128-49-51-132-57-59-136-65-67-140-73-75-144-81-83-148-89-91-152-97-99-156-103-101-154-95-93-150-87-85-146-79-77-142-71-69-138-63-61-134-55-53-130-47-45-126-39-37-122-31-29-118-23-21-114-15-13-110-3)8-9-105(107)6-4-10-111-16-18-115-24-26-119-32-34-123-40-42-127-48-50-131-56-58-135-64-66-139-72-74-143-80-82-147-88-90-151-96-98-155-102-100-153-94-92-149-86-84-145-78-76-141-70-68-137-62-60-133-54-52-129-46-44-125-38-36-121-30-28-117-22-20-113-14-12-109-2/h104H,4-103H2,1-3H3/t104-/m0/s1
InChIKeyYSYDELJKBUPNAM-BBGHVSPVSA-N
MW2284.80 g/mol
LogP3.16
Rot. Bonds150

About (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione

(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione (PubChem CID 162006820) has the molecular formula C106H210O50 and a molecular weight of 2284.80 g/mol. Its IUPAC name is (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione.

Molecular Properties

Compound Name(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione
PubChem CID162006820
Molecular FormulaC106H210O50
Molecular Weight2284.80 g/mol
Exact Mass2283.39
IUPAC Name(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CC[C@H](C)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C106H210O50/c1-104(106(108)7-5-11-112-17-19-116-25-27-120-33-35-124-41-43-128-49-51-132-57-59-136-65-67-140-73-75-144-81-83-148-89-91-152-97-99-156-103-101-154-95-93-150-87-85-146-79-77-142-71-69-138-63-61-134-55-53-130-47-45-126-39-37-122-31-29-118-23-21-114-15-13-110-3)8-9-105(107)6-4-10-111-16-18-115-24-26-119-32-34-123-40-42-127-48-50-131-56-58-135-64-66-139-72-74-143-80-82-147-88-90-151-96-98-155-102-100-153-94-92-149-86-84-145-78-76-141-70-68-137-62-60-133-54-52-129-46-44-125-38-36-121-30-28-117-22-20-113-14-12-109-2/h104H,4-103H2,1-3H3/t104-/m0/s1
InChIKeyYSYDELJKBUPNAM-BBGHVSPVSA-N
XLogP3.16
TPSA477.18 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds150
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002284.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione with MolForge

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Related Compounds

N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphinothioyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide
CID 147626129
N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide
CID 159527843
7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
CID 157073137
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-7-sulfanyloctan-4-one
CID 159232604
1-methoxy-3-methyltridecan-4-one
CID 115807260
9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one
CID 171600286
5-methyl-1-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-one
CID 157179332
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483
2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
CID 159032756
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577

Frequently Asked Questions

What is the IUPAC name of (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione?
The IUPAC name of (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione (CID 162006820) is (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione.
What is the SMILES notation for (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione?
The canonical SMILES for (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CC[C@H](C)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione?
The InChIKey is YSYDELJKBUPNAM-BBGHVSPVSA-N. The full InChI is InChI=1S/C106H210O50/c1-104(106(108)7-5-11-112-17-19-116-25-27-120-33-35-124-41-43-128-49-51-132-57-59-136-65-67-140-73-75-144-81-83-148-89-91-152-97-99-156-103-101-154-95-93-150-87-85-146-79-77-142-71-69-138-63-61-134-55-53-130-47-45-126-39-37-122-31-29-118-23-21-114-15-13-110-3)8-9-105(107)6-4-10-111-16-18-115-24-26-119-32-34-123-40-42-127-48-50-131-56-58-135-64-66-139-72-74-143-80-82-147-88-90-151-96-98-155-102-100-153-94-92-149-86-84-145-78-76-141-70-68-137-62-60-133-54-52-129-46-44-125-38-36-121-30-28-117-22-20-113-14-12-109-2/h104H,4-103H2,1-3H3/t104-/m0/s1.
What are the key properties of (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione?
(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione has a molecular weight of 2284.80 g/mol, XLogP of 3.16, 150 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,11-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione is sourced from PubChem (CID 162006820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).