9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one

C26H52O7 — CID 171600286

IUPAC9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one
SMILESCCC(CCCCC(C)C(=O)CCOCCOCCOCCOCCOCCOC)C(C)C
InChIInChI=1S/C26H52O7/c1-6-25(23(2)3)10-8-7-9-24(4)26(27)11-12-29-15-16-31-19-20-33-22-21-32-18-17-30-14-13-28-5/h23-25H,6-22H2,1-5H3
InChIKeyYRPOZVHYNGZFQY-UHFFFAOYSA-N
MW476.70 g/mol
LogP4.55
Rot. Bonds26

About 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one

9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one (PubChem CID 171600286) has the molecular formula C26H52O7 and a molecular weight of 476.70 g/mol. Its IUPAC name is 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one.

Molecular Properties

Compound Name9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one
PubChem CID171600286
Molecular FormulaC26H52O7
Molecular Weight476.70 g/mol
Exact Mass476.37
IUPAC Name9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one
SMILESCCC(CCCCC(C)C(=O)CCOCCOCCOCCOCCOCCOC)C(C)C
InChIInChI=1S/C26H52O7/c1-6-25(23(2)3)10-8-7-9-24(4)26(27)11-12-29-15-16-31-19-20-33-22-21-32-18-17-30-14-13-28-5/h23-25H,6-22H2,1-5H3
InChIKeyYRPOZVHYNGZFQY-UHFFFAOYSA-N
XLogP4.55
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.70
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[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]-4-methylpentan-3-one
CID 176767842
(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
7-methoxy-4-methylheptan-3-one
CID 63548280
5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane
CID 103411865
1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-one
CID 103147041
1-methoxy-3-methyltridecan-4-one
CID 115807260
5-(2-methoxyethoxy)-2-propan-2-ylpentan-1-amine
CID 103412271
methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate
CID 102928780
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one?
The IUPAC name of 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one (CID 171600286) is 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one.
What is the SMILES notation for 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one?
The canonical SMILES for 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one is CCC(CCCCC(C)C(=O)CCOCCOCCOCCOCCOCCOC)C(C)C.
What is the InChIKey of 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one?
The InChIKey is YRPOZVHYNGZFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O7/c1-6-25(23(2)3)10-8-7-9-24(4)26(27)11-12-29-15-16-31-19-20-33-22-21-32-18-17-30-14-13-28-5/h23-25H,6-22H2,1-5H3.
What are the key properties of 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one?
9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one has a molecular weight of 476.70 g/mol, XLogP of 4.55, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one is sourced from PubChem (CID 171600286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).