1-nonan-2-yloxyoctadecane

C27H56O — CID 88815684

IUPAC1-nonan-2-yloxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOC(C)CCCCCCC
InChIInChI=1S/C27H56O/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-28-27(3)25-23-21-9-7-5-2/h27H,4-26H2,1-3H3
InChIKeyBBRRDUNUHGQROZ-UHFFFAOYSA-N
MW396.74 g/mol
LogP10.01
Rot. Bonds24

About 1-nonan-2-yloxyoctadecane

1-nonan-2-yloxyoctadecane (PubChem CID 88815684) has the molecular formula C27H56O and a molecular weight of 396.74 g/mol. Its IUPAC name is 1-nonan-2-yloxyoctadecane.

Molecular Properties

Compound Name1-nonan-2-yloxyoctadecane
PubChem CID88815684
Molecular FormulaC27H56O
Molecular Weight396.74 g/mol
Exact Mass396.43
IUPAC Name1-nonan-2-yloxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOC(C)CCCCCCC
InChIInChI=1S/C27H56O/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-28-27(3)25-23-21-9-7-5-2/h27H,4-26H2,1-3H3
InChIKeyBBRRDUNUHGQROZ-UHFFFAOYSA-N
XLogP10.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.74
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-nonan-2-yloxyoctadecane 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
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-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 1-nonan-2-yloxyoctadecane?
The IUPAC name of 1-nonan-2-yloxyoctadecane (CID 88815684) is 1-nonan-2-yloxyoctadecane.
What is the SMILES notation for 1-nonan-2-yloxyoctadecane?
The canonical SMILES for 1-nonan-2-yloxyoctadecane is CCCCCCCCCCCCCCCCCCOC(C)CCCCCCC.
What is the InChIKey of 1-nonan-2-yloxyoctadecane?
The InChIKey is BBRRDUNUHGQROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-28-27(3)25-23-21-9-7-5-2/h27H,4-26H2,1-3H3.
What are the key properties of 1-nonan-2-yloxyoctadecane?
1-nonan-2-yloxyoctadecane has a molecular weight of 396.74 g/mol, XLogP of 10.01, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-2-yloxyoctadecane is sourced from PubChem (CID 88815684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).