2,2,3,3,4-pentamethylpentacosane

C30H62 — CID 19835663

IUPAC2,2,3,3,4-pentamethylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C30H62/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)30(6,7)29(3,4)5/h28H,8-27H2,1-7H3
InChIKeyOLUQUHYZDWHOHP-UHFFFAOYSA-N
MW422.83 g/mol
LogP11.52
Rot. Bonds21

About 2,2,3,3,4-pentamethylpentacosane

2,2,3,3,4-pentamethylpentacosane (PubChem CID 19835663) has the molecular formula C30H62 and a molecular weight of 422.83 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethylpentacosane.

Molecular Properties

Compound Name2,2,3,3,4-pentamethylpentacosane
PubChem CID19835663
Molecular FormulaC30H62
Molecular Weight422.83 g/mol
Exact Mass422.49
IUPAC Name2,2,3,3,4-pentamethylpentacosane
SMILESCCCCCCCCCCCCCCCCCCCCCC(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C30H62/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)30(6,7)29(3,4)5/h28H,8-27H2,1-7H3
InChIKeyOLUQUHYZDWHOHP-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.83
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2,2,3,3,4-pentamethylpentacosane?
The IUPAC name of 2,2,3,3,4-pentamethylpentacosane (CID 19835663) is 2,2,3,3,4-pentamethylpentacosane.
What is the SMILES notation for 2,2,3,3,4-pentamethylpentacosane?
The canonical SMILES for 2,2,3,3,4-pentamethylpentacosane is CCCCCCCCCCCCCCCCCCCCCC(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4-pentamethylpentacosane?
The InChIKey is OLUQUHYZDWHOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)30(6,7)29(3,4)5/h28H,8-27H2,1-7H3.
What are the key properties of 2,2,3,3,4-pentamethylpentacosane?
2,2,3,3,4-pentamethylpentacosane has a molecular weight of 422.83 g/mol, XLogP of 11.52, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethylpentacosane is sourced from PubChem (CID 19835663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).