8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate

C21H42O6 — CID 121470117

IUPAC8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCOCCOCCOCCOCCCC(=O)OCCCCCCCC(C)C
InChIInChI=1S/C21H42O6/c1-20(2)10-7-5-4-6-8-13-27-21(22)11-9-12-24-16-17-26-19-18-25-15-14-23-3/h20H,4-19H2,1-3H3
InChIKeyVOJAGRRJXKQRNS-UHFFFAOYSA-N
MW390.56 g/mol
LogP4.00
Rot. Bonds21

About 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate

8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 121470117) has the molecular formula C21H42O6 and a molecular weight of 390.56 g/mol. Its IUPAC name is 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Name8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID121470117
Molecular FormulaC21H42O6
Molecular Weight390.56 g/mol
Exact Mass390.30
IUPAC Name8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCOCCOCCOCCOCCCC(=O)OCCCCCCCC(C)C
InChIInChI=1S/C21H42O6/c1-20(2)10-7-5-4-6-8-13-27-21(22)11-9-12-24-16-17-26-19-18-25-15-14-23-3/h20H,4-19H2,1-3H3
InChIKeyVOJAGRRJXKQRNS-UHFFFAOYSA-N
XLogP4.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate 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

7-methyloctyl 4-[2-(3-methylbutoxy)ethoxy]butanoate
CID 140909665
7-methyloctyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 140909679
8-methylnonyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469817
16-methylheptadecyl 4-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470253
7-methyloctyl 4-(2-undecoxyethoxy)butanoate
CID 140909659
7-methyloctyl 4-[2-(2-octoxyethoxy)ethoxy]butanoate
CID 140909661
bis(18-methylnonadecyl) dodecanedioate
CID 57370184
bis(15-methylhexadecyl) nonanedioate
CID 121388169
10-methylundecyl 9-methyldecanoate
CID 139914472
bis(10-methylundecyl) octanedioate
CID 121388088
14-methylpentadecyl 12-methyltridecanoate
CID 54008105
bis(6-methylheptyl) undecanedioate
CID 141305471

Frequently Asked Questions

What is the IUPAC name of 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate (CID 121470117) is 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate is COCCOCCOCCOCCCC(=O)OCCCCCCCC(C)C.
What is the InChIKey of 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is VOJAGRRJXKQRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O6/c1-20(2)10-7-5-4-6-8-13-27-21(22)11-9-12-24-16-17-26-19-18-25-15-14-23-3/h20H,4-19H2,1-3H3.
What are the key properties of 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate?
8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 390.56 g/mol, XLogP of 4.00, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 121470117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).