1-(8-methylnon-8-enoxy)dodecane

C22H44O — CID 10520052

IUPAC1-(8-methylnon-8-enoxy)dodecane
SMILESC=C(C)CCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C22H44O/c1-4-5-6-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22(2)3/h2,4-21H2,1,3H3
InChIKeyTZKFFOIFOQUEOT-UHFFFAOYSA-N
MW324.59 g/mol
LogP7.84
Rot. Bonds19

About 1-(8-methylnon-8-enoxy)dodecane

1-(8-methylnon-8-enoxy)dodecane (PubChem CID 10520052) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 1-(8-methylnon-8-enoxy)dodecane.

Molecular Properties

Compound Name1-(8-methylnon-8-enoxy)dodecane
PubChem CID10520052
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name1-(8-methylnon-8-enoxy)dodecane
SMILESC=C(C)CCCCCCCOCCCCCCCCCCCC
InChIInChI=1S/C22H44O/c1-4-5-6-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22(2)3/h2,4-21H2,1,3H3
InChIKeyTZKFFOIFOQUEOT-UHFFFAOYSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.84
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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Related Compounds

8-heptoxy-2-methyloct-1-ene
CID 59205550
2-methyltetradec-1-ene
CID 521375
ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
7-hexoxyheptan-2-one
CID 122428493
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylnon-8-enoxy)dodecane?
The IUPAC name of 1-(8-methylnon-8-enoxy)dodecane (CID 10520052) is 1-(8-methylnon-8-enoxy)dodecane.
What is the SMILES notation for 1-(8-methylnon-8-enoxy)dodecane?
The canonical SMILES for 1-(8-methylnon-8-enoxy)dodecane is C=C(C)CCCCCCCOCCCCCCCCCCCC.
What is the InChIKey of 1-(8-methylnon-8-enoxy)dodecane?
The InChIKey is TZKFFOIFOQUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O/c1-4-5-6-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22(2)3/h2,4-21H2,1,3H3.
What are the key properties of 1-(8-methylnon-8-enoxy)dodecane?
1-(8-methylnon-8-enoxy)dodecane has a molecular weight of 324.59 g/mol, XLogP of 7.84, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylnon-8-enoxy)dodecane is sourced from PubChem (CID 10520052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).