2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol

C30H62O5 — CID 58734105

IUPAC2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CC(CO)(COCCOCCOCC(CO)(CC(C)(C)C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C30H62O5/c1-25(2,3)17-29(21-31,18-26(4,5)6)23-34-15-13-33-14-16-35-24-30(22-32,19-27(7,8)9)20-28(10,11)12/h31-32H,13-24H2,1-12H3
InChIKeyWURVKCOLKVHZTA-UHFFFAOYSA-N
MW502.82 g/mol
LogP6.74
Rot. Bonds16

About 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol

2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol (PubChem CID 58734105) has the molecular formula C30H62O5 and a molecular weight of 502.82 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol
PubChem CID58734105
Molecular FormulaC30H62O5
Molecular Weight502.82 g/mol
Exact Mass502.46
IUPAC Name2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CC(CO)(COCCOCCOCC(CO)(CC(C)(C)C)CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C30H62O5/c1-25(2,3)17-29(21-31,18-26(4,5)6)23-34-15-13-33-14-16-35-24-30(22-32,19-27(7,8)9)20-28(10,11)12/h31-32H,13-24H2,1-12H3
InChIKeyWURVKCOLKVHZTA-UHFFFAOYSA-N
XLogP6.74
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.82
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol (CID 58734105) is 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol is CC(C)(C)CC(CO)(COCCOCCOCC(CO)(CC(C)(C)C)CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol?
The InChIKey is WURVKCOLKVHZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O5/c1-25(2,3)17-29(21-31,18-26(4,5)6)23-34-15-13-33-14-16-35-24-30(22-32,19-27(7,8)9)20-28(10,11)12/h31-32H,13-24H2,1-12H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol?
2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol has a molecular weight of 502.82 g/mol, XLogP of 6.74, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-[2-[2-[2-(2,2-dimethylpropyl)-2-(hydroxymethyl)-4,4-dimethylpentoxy]ethoxy]ethoxymethyl]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 58734105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).