1-heptoxytetracosane

C31H64O — CID 91692958

IUPAC1-heptoxytetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOCCCCCCC
InChIInChI=1S/C31H64O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32-30-28-26-8-6-4-2/h3-31H2,1-2H3
InChIKeyGXGDJGZWPZTACY-UHFFFAOYSA-N
MW452.85 g/mol
LogP11.58
Rot. Bonds29

About 1-heptoxytetracosane

1-heptoxytetracosane (PubChem CID 91692958) has the molecular formula C31H64O and a molecular weight of 452.85 g/mol. Its IUPAC name is 1-heptoxytetracosane.

Molecular Properties

Compound Name1-heptoxytetracosane
PubChem CID91692958
Molecular FormulaC31H64O
Molecular Weight452.85 g/mol
Exact Mass452.50
IUPAC Name1-heptoxytetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOCCCCCCC
InChIInChI=1S/C31H64O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32-30-28-26-8-6-4-2/h3-31H2,1-2H3
InChIKeyGXGDJGZWPZTACY-UHFFFAOYSA-N
XLogP11.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.85
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptoxytetracosane?
The IUPAC name of 1-heptoxytetracosane (CID 91692958) is 1-heptoxytetracosane.
What is the SMILES notation for 1-heptoxytetracosane?
The canonical SMILES for 1-heptoxytetracosane is CCCCCCCCCCCCCCCCCCCCCCCCOCCCCCCC.
What is the InChIKey of 1-heptoxytetracosane?
The InChIKey is GXGDJGZWPZTACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-32-30-28-26-8-6-4-2/h3-31H2,1-2H3.
What are the key properties of 1-heptoxytetracosane?
1-heptoxytetracosane has a molecular weight of 452.85 g/mol, XLogP of 11.58, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptoxytetracosane is sourced from PubChem (CID 91692958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).