2-decoxyundecane

C21H44O — CID 151498473

IUPAC2-decoxyundecane
SMILESCCCCCCCCCCOC(C)CCCCCCCCC
InChIInChI=1S/C21H44O/c1-4-6-8-10-12-14-16-18-20-22-21(3)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3
InChIKeyPPXHIZQOOJFDRU-UHFFFAOYSA-N
MW312.58 g/mol
LogP7.67
Rot. Bonds18

About 2-decoxyundecane

2-decoxyundecane (PubChem CID 151498473) has the molecular formula C21H44O and a molecular weight of 312.58 g/mol. Its IUPAC name is 2-decoxyundecane.

Molecular Properties

Compound Name2-decoxyundecane
PubChem CID151498473
Molecular FormulaC21H44O
Molecular Weight312.58 g/mol
Exact Mass312.34
IUPAC Name2-decoxyundecane
SMILESCCCCCCCCCCOC(C)CCCCCCCCC
InChIInChI=1S/C21H44O/c1-4-6-8-10-12-14-16-18-20-22-21(3)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3
InChIKeyPPXHIZQOOJFDRU-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.58
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-decoxyundecane 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

1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
1-undecan-2-yloxypentadecane
CID 174433069
1-hexan-2-yloxydecane
CID 57029724
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
1-(3-dodecoxybutoxy)dodecane
CID 173358855
2-(2-methoxyethoxy)octadecane
CID 89276167
2-octan-2-yloxyethanamine
CID 43127313
2-(2-chloroethoxy)octane
CID 20788636
6-octan-2-yloxyhexan-2-one
CID 43793687
2-ethoxytridecane
CID 54143367
2-butoxyhexane;ethane
CID 144590910

Frequently Asked Questions

What is the IUPAC name of 2-decoxyundecane?
The IUPAC name of 2-decoxyundecane (CID 151498473) is 2-decoxyundecane.
What is the SMILES notation for 2-decoxyundecane?
The canonical SMILES for 2-decoxyundecane is CCCCCCCCCCOC(C)CCCCCCCCC.
What is the InChIKey of 2-decoxyundecane?
The InChIKey is PPXHIZQOOJFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O/c1-4-6-8-10-12-14-16-18-20-22-21(3)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3.
What are the key properties of 2-decoxyundecane?
2-decoxyundecane has a molecular weight of 312.58 g/mol, XLogP of 7.67, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxyundecane is sourced from PubChem (CID 151498473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).