1-octan-2-yloxydecane

C18H38O — CID 86220707

IUPAC1-octan-2-yloxydecane
SMILESCCCCCCCCCCOC(C)CCCCCC
InChIInChI=1S/C18H38O/c1-4-6-8-10-11-12-13-15-17-19-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3
InChIKeyUJZJPLFMNRLGBT-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.50
Rot. Bonds15

About 1-octan-2-yloxydecane

1-octan-2-yloxydecane (PubChem CID 86220707) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-octan-2-yloxydecane.

Molecular Properties

Compound Name1-octan-2-yloxydecane
PubChem CID86220707
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name1-octan-2-yloxydecane
SMILESCCCCCCCCCCOC(C)CCCCCC
InChIInChI=1S/C18H38O/c1-4-6-8-10-11-12-13-15-17-19-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3
InChIKeyUJZJPLFMNRLGBT-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-octan-2-yloxydecane 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-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
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-(2-chloroethoxy)octane
CID 20788636
2-octan-2-yloxyethanamine
CID 43127313
6-octan-2-yloxyhexan-2-one
CID 43793687
2-butoxyhexane;ethane
CID 144590910
2-ethoxytridecane
CID 54143367

Frequently Asked Questions

What is the IUPAC name of 1-octan-2-yloxydecane?
The IUPAC name of 1-octan-2-yloxydecane (CID 86220707) is 1-octan-2-yloxydecane.
What is the SMILES notation for 1-octan-2-yloxydecane?
The canonical SMILES for 1-octan-2-yloxydecane is CCCCCCCCCCOC(C)CCCCCC.
What is the InChIKey of 1-octan-2-yloxydecane?
The InChIKey is UJZJPLFMNRLGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-4-6-8-10-11-12-13-15-17-19-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3.
What are the key properties of 1-octan-2-yloxydecane?
1-octan-2-yloxydecane has a molecular weight of 270.50 g/mol, XLogP of 6.50, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-2-yloxydecane is sourced from PubChem (CID 86220707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).