2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one

C28H57NO9 — CID 165106129

IUPAC2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one
SMILESCC(C)NCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC(=O)C(C)C
InChIInChI=1S/C28H57NO9/c1-26(2)28(30)8-6-5-7-10-31-12-14-33-16-18-35-20-22-37-24-25-38-23-21-36-19-17-34-15-13-32-11-9-29-27(3)4/h26-27,29H,5-25H2,1-4H3
InChIKeyANEPKULPQAOFPS-UHFFFAOYSA-N
MW551.76 g/mol
LogP2.90
Rot. Bonds32

About 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one

2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one (PubChem CID 165106129) has the molecular formula C28H57NO9 and a molecular weight of 551.76 g/mol. Its IUPAC name is 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one.

Molecular Properties

Compound Name2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one
PubChem CID165106129
Molecular FormulaC28H57NO9
Molecular Weight551.76 g/mol
Exact Mass551.40
IUPAC Name2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one
SMILESCC(C)NCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC(=O)C(C)C
InChIInChI=1S/C28H57NO9/c1-26(2)28(30)8-6-5-7-10-31-12-14-33-16-18-35-20-22-37-24-25-38-23-21-36-19-17-34-15-13-32-11-9-29-27(3)4/h26-27,29H,5-25H2,1-4H3
InChIKeyANEPKULPQAOFPS-UHFFFAOYSA-N
XLogP2.90
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
2-methyl-8-[2-[2-(7-methyloctoxy)ethoxy]ethoxy]octan-3-one
CID 170679761
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
2-methyl-9-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]nonane-3,6-dione;2-methyl-9-[2-(propan-2-ylamino)ethyldisulfanyl]nonane-3,6-dione
CID 159457900
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-(2-decoxyethyl)propan-2-amine
CID 63399572
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one?
The IUPAC name of 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one (CID 165106129) is 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one.
What is the SMILES notation for 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one?
The canonical SMILES for 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one is CC(C)NCCOCCOCCOCCOCCOCCOCCOCCOCCCCCC(=O)C(C)C.
What is the InChIKey of 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one?
The InChIKey is ANEPKULPQAOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO9/c1-26(2)28(30)8-6-5-7-10-31-12-14-33-16-18-35-20-22-37-24-25-38-23-21-36-19-17-34-15-13-32-11-9-29-27(3)4/h26-27,29H,5-25H2,1-4H3.
What are the key properties of 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one?
2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one has a molecular weight of 551.76 g/mol, XLogP of 2.90, 32 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one is sourced from PubChem (CID 165106129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).