1-propan-2-yloxytriacontane

C33H68O — CID 91692939

IUPAC1-propan-2-yloxytriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C33H68O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-33(2)3/h33H,4-32H2,1-3H3
InChIKeyYAMBTAVKEBNPIV-UHFFFAOYSA-N
MW480.91 g/mol
LogP12.35
Rot. Bonds30

About 1-propan-2-yloxytriacontane

1-propan-2-yloxytriacontane (PubChem CID 91692939) has the molecular formula C33H68O and a molecular weight of 480.91 g/mol. Its IUPAC name is 1-propan-2-yloxytriacontane.

Molecular Properties

Compound Name1-propan-2-yloxytriacontane
PubChem CID91692939
Molecular FormulaC33H68O
Molecular Weight480.91 g/mol
Exact Mass480.53
IUPAC Name1-propan-2-yloxytriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C33H68O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-33(2)3/h33H,4-32H2,1-3H3
InChIKeyYAMBTAVKEBNPIV-UHFFFAOYSA-N
XLogP12.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.91
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-propan-2-yloxytriacontane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxytriacontane?
The IUPAC name of 1-propan-2-yloxytriacontane (CID 91692939) is 1-propan-2-yloxytriacontane.
What is the SMILES notation for 1-propan-2-yloxytriacontane?
The canonical SMILES for 1-propan-2-yloxytriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxytriacontane?
The InChIKey is YAMBTAVKEBNPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-33(2)3/h33H,4-32H2,1-3H3.
What are the key properties of 1-propan-2-yloxytriacontane?
1-propan-2-yloxytriacontane has a molecular weight of 480.91 g/mol, XLogP of 12.35, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxytriacontane is sourced from PubChem (CID 91692939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).