ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide

C27H59NO9 — CID 171535955

IUPACethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide
SMILESCC.CCC(N)=O.CCCCC(=O)O.CCCOCCCCCOCCOCCOCCOCCOC
InChIInChI=1S/C17H36O6.C5H10O2.C3H7NO.C2H6/c1-3-7-19-8-5-4-6-9-20-12-13-22-16-17-23-15-14-21-11-10-18-2;1-2-3-4-5(6)7;1-2-3(4)5;1-2/h3-17H2,1-2H3;2-4H2,1H3,(H,6,7);2H2,1H3,(H2,4,5);1-2H3
InChIKeyATCUBJJTAZUEER-UHFFFAOYSA-N
MW541.77 g/mol
LogP4.47
Rot. Bonds24

About ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide

ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide (PubChem CID 171535955) has the molecular formula C27H59NO9 and a molecular weight of 541.77 g/mol. Its IUPAC name is ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide.

Molecular Properties

Compound Nameethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide
PubChem CID171535955
Molecular FormulaC27H59NO9
Molecular Weight541.77 g/mol
Exact Mass541.42
IUPAC Nameethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide
SMILESCC.CCC(N)=O.CCCCC(=O)O.CCCOCCCCCOCCOCCOCCOCCOC
InChIInChI=1S/C17H36O6.C5H10O2.C3H7NO.C2H6/c1-3-7-19-8-5-4-6-9-20-12-13-22-16-17-23-15-14-21-11-10-18-2;1-2-3-4-5(6)7;1-2-3(4)5;1-2/h3-17H2,1-2H3;2-4H2,1H3,(H,6,7);2H2,1H3,(H2,4,5);1-2H3
InChIKeyATCUBJJTAZUEER-UHFFFAOYSA-N
XLogP4.47
TPSA135.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.77
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide 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

15-pentoxypentadecanoic acid
CID 89280169
4-(7-methoxyheptoxy)butanoic acid
CID 15409527
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
formamide;5-(2-methoxyethoxy)pentanoic acid
CID 163225879
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide?
The IUPAC name of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide (CID 171535955) is ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide.
What is the SMILES notation for ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide?
The canonical SMILES for ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide is CC.CCC(N)=O.CCCCC(=O)O.CCCOCCCCCOCCOCCOCCOCCOC.
What is the InChIKey of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide?
The InChIKey is ATCUBJJTAZUEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O6.C5H10O2.C3H7NO.C2H6/c1-3-7-19-8-5-4-6-9-20-12-13-22-16-17-23-15-14-21-11-10-18-2;1-2-3-4-5(6)7;1-2-3(4)5;1-2/h3-17H2,1-2H3;2-4H2,1H3,(H,6,7);2H2,1H3,(H2,4,5);1-2H3.
What are the key properties of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide?
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide has a molecular weight of 541.77 g/mol, XLogP of 4.47, 24 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-5-propoxypentane;pentanoic acid;propanamide is sourced from PubChem (CID 171535955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).