1-(2-methoxyoct-7-enoxy)hexadecane

C25H50O2 — CID 19939565

IUPAC1-(2-methoxyoct-7-enoxy)hexadecane
SMILESC=CCCCCC(COCCCCCCCCCCCCCCCC)OC
InChIInChI=1S/C25H50O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-27-24-25(26-3)22-20-9-7-5-2/h5,25H,2,4,6-24H2,1,3H3
InChIKeyDJUMTEPTHFTNAE-UHFFFAOYSA-N
MW382.67 g/mol
LogP8.25
Rot. Bonds23

About 1-(2-methoxyoct-7-enoxy)hexadecane

1-(2-methoxyoct-7-enoxy)hexadecane (PubChem CID 19939565) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is 1-(2-methoxyoct-7-enoxy)hexadecane.

Molecular Properties

Compound Name1-(2-methoxyoct-7-enoxy)hexadecane
PubChem CID19939565
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name1-(2-methoxyoct-7-enoxy)hexadecane
SMILESC=CCCCCC(COCCCCCCCCCCCCCCCC)OC
InChIInChI=1S/C25H50O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-27-24-25(26-3)22-20-9-7-5-2/h5,25H,2,4,6-24H2,1,3H3
InChIKeyDJUMTEPTHFTNAE-UHFFFAOYSA-N
XLogP8.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-methoxyoct-7-enoxy)hexadecane?
The IUPAC name of 1-(2-methoxyoct-7-enoxy)hexadecane (CID 19939565) is 1-(2-methoxyoct-7-enoxy)hexadecane.
What is the SMILES notation for 1-(2-methoxyoct-7-enoxy)hexadecane?
The canonical SMILES for 1-(2-methoxyoct-7-enoxy)hexadecane is C=CCCCCC(COCCCCCCCCCCCCCCCC)OC.
What is the InChIKey of 1-(2-methoxyoct-7-enoxy)hexadecane?
The InChIKey is DJUMTEPTHFTNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-23-27-24-25(26-3)22-20-9-7-5-2/h5,25H,2,4,6-24H2,1,3H3.
What are the key properties of 1-(2-methoxyoct-7-enoxy)hexadecane?
1-(2-methoxyoct-7-enoxy)hexadecane has a molecular weight of 382.67 g/mol, XLogP of 8.25, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyoct-7-enoxy)hexadecane is sourced from PubChem (CID 19939565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).