1-propan-2-yloxydotriacontane

C35H72O — CID 91692940

IUPAC1-propan-2-yloxydotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C35H72O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-35(2)3/h35H,4-34H2,1-3H3
InChIKeyNWEWOIRGJUOVMM-UHFFFAOYSA-N
MW508.96 g/mol
LogP13.13
Rot. Bonds32

About 1-propan-2-yloxydotriacontane

1-propan-2-yloxydotriacontane (PubChem CID 91692940) has the molecular formula C35H72O and a molecular weight of 508.96 g/mol. Its IUPAC name is 1-propan-2-yloxydotriacontane.

Molecular Properties

Compound Name1-propan-2-yloxydotriacontane
PubChem CID91692940
Molecular FormulaC35H72O
Molecular Weight508.96 g/mol
Exact Mass508.56
IUPAC Name1-propan-2-yloxydotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C
InChIInChI=1S/C35H72O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-35(2)3/h35H,4-34H2,1-3H3
InChIKeyNWEWOIRGJUOVMM-UHFFFAOYSA-N
XLogP13.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.96
LogP ≤ 513.13
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-yloxydotriacontane?
The IUPAC name of 1-propan-2-yloxydotriacontane (CID 91692940) is 1-propan-2-yloxydotriacontane.
What is the SMILES notation for 1-propan-2-yloxydotriacontane?
The canonical SMILES for 1-propan-2-yloxydotriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxydotriacontane?
The InChIKey is NWEWOIRGJUOVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-35(2)3/h35H,4-34H2,1-3H3.
What are the key properties of 1-propan-2-yloxydotriacontane?
1-propan-2-yloxydotriacontane has a molecular weight of 508.96 g/mol, XLogP of 13.13, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxydotriacontane is sourced from PubChem (CID 91692940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).