1-propan-2-yloxyicosane

C23H48O — CID 91691499

IUPAC1-propan-2-yloxyicosane
SMILESCCCCCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C23H48O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h23H,4-22H2,1-3H3
InChIKeyUBZGFZFEZYNVAW-UHFFFAOYSA-N
MW340.64 g/mol
LogP8.45
Rot. Bonds20

About 1-propan-2-yloxyicosane

1-propan-2-yloxyicosane (PubChem CID 91691499) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 1-propan-2-yloxyicosane.

Molecular Properties

Compound Name1-propan-2-yloxyicosane
PubChem CID91691499
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name1-propan-2-yloxyicosane
SMILESCCCCCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C23H48O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h23H,4-22H2,1-3H3
InChIKeyUBZGFZFEZYNVAW-UHFFFAOYSA-N
XLogP8.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 58.45
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-propan-2-yloxyicosane?
The IUPAC name of 1-propan-2-yloxyicosane (CID 91691499) is 1-propan-2-yloxyicosane.
What is the SMILES notation for 1-propan-2-yloxyicosane?
The canonical SMILES for 1-propan-2-yloxyicosane is CCCCCCCCCCCCCCCCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxyicosane?
The InChIKey is UBZGFZFEZYNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h23H,4-22H2,1-3H3.
What are the key properties of 1-propan-2-yloxyicosane?
1-propan-2-yloxyicosane has a molecular weight of 340.64 g/mol, XLogP of 8.45, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyicosane is sourced from PubChem (CID 91691499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).