10-octylicosane

C28H58 — CID 20514731

IUPAC10-octylicosane
SMILESCCCCCCCCCCC(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C28H58/c1-4-7-10-13-16-18-21-24-27-28(25-22-19-15-12-9-6-3)26-23-20-17-14-11-8-5-2/h28H,4-27H2,1-3H3
InChIKeyBLNOVWUCWRNRDP-UHFFFAOYSA-N
MW394.77 g/mol
LogP11.02
Rot. Bonds24

About 10-octylicosane

10-octylicosane (PubChem CID 20514731) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 10-octylicosane.

Molecular Properties

Compound Name10-octylicosane
PubChem CID20514731
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name10-octylicosane
SMILESCCCCCCCCCCC(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C28H58/c1-4-7-10-13-16-18-21-24-27-28(25-22-19-15-12-9-6-3)26-23-20-17-14-11-8-5-2/h28H,4-27H2,1-3H3
InChIKeyBLNOVWUCWRNRDP-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
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

13-pentylheptacosane
CID 91387927
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353

Frequently Asked Questions

What is the IUPAC name of 10-octylicosane?
The IUPAC name of 10-octylicosane (CID 20514731) is 10-octylicosane.
What is the SMILES notation for 10-octylicosane?
The canonical SMILES for 10-octylicosane is CCCCCCCCCCC(CCCCCCCC)CCCCCCCCC.
What is the InChIKey of 10-octylicosane?
The InChIKey is BLNOVWUCWRNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-4-7-10-13-16-18-21-24-27-28(25-22-19-15-12-9-6-3)26-23-20-17-14-11-8-5-2/h28H,4-27H2,1-3H3.
What are the key properties of 10-octylicosane?
10-octylicosane has a molecular weight of 394.77 g/mol, XLogP of 11.02, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-octylicosane is sourced from PubChem (CID 20514731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).