10,10-dibutylicosane

C28H58 — CID 151498539

IUPAC10,10-dibutylicosane
SMILESCCCCCCCCCCC(CCCC)(CCCC)CCCCCCCCC
InChIInChI=1S/C28H58/c1-5-9-13-15-17-19-21-23-27-28(24-11-7-3,25-12-8-4)26-22-20-18-16-14-10-6-2/h5-27H2,1-4H3
InChIKeyPPXOOQAEHZLCNL-UHFFFAOYSA-N
MW394.77 g/mol
LogP11.02
Rot. Bonds23

About 10,10-dibutylicosane

10,10-dibutylicosane (PubChem CID 151498539) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 10,10-dibutylicosane.

Molecular Properties

Compound Name10,10-dibutylicosane
PubChem CID151498539
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name10,10-dibutylicosane
SMILESCCCCCCCCCCC(CCCC)(CCCC)CCCCCCCCC
InChIInChI=1S/C28H58/c1-5-9-13-15-17-19-21-23-27-28(24-11-7-3,25-12-8-4)26-22-20-18-16-14-10-6-2/h5-27H2,1-4H3
InChIKeyPPXOOQAEHZLCNL-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 511.02
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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Related Compounds

19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
6,6-dipentylundecane
CID 19690398
7-butyl-7-ethyltetradecane
CID 174665936
4,4-dibutyldodecan-1-ol
CID 87374441
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521
3,3-dioctadecylpentane-1,5-diol
CID 59698466
9-(2-bromoethyl)-9-octylheptadecane
CID 141338192
chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane
CID 139840774

Frequently Asked Questions

What is the IUPAC name of 10,10-dibutylicosane?
The IUPAC name of 10,10-dibutylicosane (CID 151498539) is 10,10-dibutylicosane.
What is the SMILES notation for 10,10-dibutylicosane?
The canonical SMILES for 10,10-dibutylicosane is CCCCCCCCCCC(CCCC)(CCCC)CCCCCCCCC.
What is the InChIKey of 10,10-dibutylicosane?
The InChIKey is PPXOOQAEHZLCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-5-9-13-15-17-19-21-23-27-28(24-11-7-3,25-12-8-4)26-22-20-18-16-14-10-6-2/h5-27H2,1-4H3.
What are the key properties of 10,10-dibutylicosane?
10,10-dibutylicosane has a molecular weight of 394.77 g/mol, XLogP of 11.02, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dibutylicosane is sourced from PubChem (CID 151498539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).