2-(7-methylnonoxy)oxane

C15H30O2 — CID 122382103

IUPAC2-(7-methylnonoxy)oxane
SMILESCCC(C)CCCCCCOC1CCCCO1
InChIInChI=1S/C15H30O2/c1-3-14(2)10-6-4-5-8-12-16-15-11-7-9-13-17-15/h14-15H,3-13H2,1-2H3
InChIKeyWMXUYTXHGNYEPQ-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.53
Rot. Bonds9

About 2-(7-methylnonoxy)oxane

2-(7-methylnonoxy)oxane (PubChem CID 122382103) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-(7-methylnonoxy)oxane.

Molecular Properties

Compound Name2-(7-methylnonoxy)oxane
PubChem CID122382103
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-(7-methylnonoxy)oxane
SMILESCCC(C)CCCCCCOC1CCCCO1
InChIInChI=1S/C15H30O2/c1-3-14(2)10-6-4-5-8-12-16-15-11-7-9-13-17-15/h14-15H,3-13H2,1-2H3
InChIKeyWMXUYTXHGNYEPQ-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(7-methylnonoxy)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylnonoxy)oxane?
The IUPAC name of 2-(7-methylnonoxy)oxane (CID 122382103) is 2-(7-methylnonoxy)oxane.
What is the SMILES notation for 2-(7-methylnonoxy)oxane?
The canonical SMILES for 2-(7-methylnonoxy)oxane is CCC(C)CCCCCCOC1CCCCO1.
What is the InChIKey of 2-(7-methylnonoxy)oxane?
The InChIKey is WMXUYTXHGNYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-14(2)10-6-4-5-8-12-16-15-11-7-9-13-17-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(7-methylnonoxy)oxane?
2-(7-methylnonoxy)oxane has a molecular weight of 242.40 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylnonoxy)oxane is sourced from PubChem (CID 122382103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).