2,4,8-trimethyl-6-non-8-enoxynonane

C21H42O — CID 23466500

IUPAC2,4,8-trimethyl-6-non-8-enoxynonane
SMILESC=CCCCCCCCOC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C21H42O/c1-7-8-9-10-11-12-13-14-22-21(16-19(4)5)17-20(6)15-18(2)3/h7,18-21H,1,8-17H2,2-6H3
InChIKeyJXTRBJMVHUHEJF-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.02
Rot. Bonds15

About 2,4,8-trimethyl-6-non-8-enoxynonane

2,4,8-trimethyl-6-non-8-enoxynonane (PubChem CID 23466500) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 2,4,8-trimethyl-6-non-8-enoxynonane.

Molecular Properties

Compound Name2,4,8-trimethyl-6-non-8-enoxynonane
PubChem CID23466500
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name2,4,8-trimethyl-6-non-8-enoxynonane
SMILESC=CCCCCCCCOC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C21H42O/c1-7-8-9-10-11-12-13-14-22-21(16-19(4)5)17-20(6)15-18(2)3/h7,18-21H,1,8-17H2,2-6H3
InChIKeyJXTRBJMVHUHEJF-UHFFFAOYSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-6-non-8-enoxynonane?
The IUPAC name of 2,4,8-trimethyl-6-non-8-enoxynonane (CID 23466500) is 2,4,8-trimethyl-6-non-8-enoxynonane.
What is the SMILES notation for 2,4,8-trimethyl-6-non-8-enoxynonane?
The canonical SMILES for 2,4,8-trimethyl-6-non-8-enoxynonane is C=CCCCCCCCOC(CC(C)C)CC(C)CC(C)C.
What is the InChIKey of 2,4,8-trimethyl-6-non-8-enoxynonane?
The InChIKey is JXTRBJMVHUHEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-7-8-9-10-11-12-13-14-22-21(16-19(4)5)17-20(6)15-18(2)3/h7,18-21H,1,8-17H2,2-6H3.
What are the key properties of 2,4,8-trimethyl-6-non-8-enoxynonane?
2,4,8-trimethyl-6-non-8-enoxynonane has a molecular weight of 310.57 g/mol, XLogP of 7.02, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-6-non-8-enoxynonane is sourced from PubChem (CID 23466500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).