9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane

C66H134 — CID 141081090

IUPAC9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane
SMILESCCCCCCCCCCC(CCCCCCCC)(CCCCCCCCC)C(CCCCCC)(CCCCCCC)C(CCCC)(CCCCC)C(CC)(CCC)C(C)CCCCCC
InChIInChI=1S/C66H134/c1-12-22-30-36-39-41-45-50-57-63(55-48-43-38-32-24-14-3,56-49-44-40-37-31-23-13-2)65(59-51-35-27-17-6,60-52-42-33-25-15-4)66(58-29-19-8,61-47-28-18-7)64(21-10,54-20-9)62(11)53-46-34-26-16-5/h62H,12-61H2,1-11H3
InChIKeyJEBSDBKBALWKQB-UHFFFAOYSA-N
MW927.80 g/mol
LogP25.27
Rot. Bonds54

About 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane

9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane (PubChem CID 141081090) has the molecular formula C66H134 and a molecular weight of 927.80 g/mol. Its IUPAC name is 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane.

Molecular Properties

Compound Name9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane
PubChem CID141081090
Molecular FormulaC66H134
Molecular Weight927.80 g/mol
Exact Mass927.05
IUPAC Name9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane
SMILESCCCCCCCCCCC(CCCCCCCC)(CCCCCCCCC)C(CCCCCC)(CCCCCCC)C(CCCC)(CCCCC)C(CC)(CCC)C(C)CCCCCC
InChIInChI=1S/C66H134/c1-12-22-30-36-39-41-45-50-57-63(55-48-43-38-32-24-14-3,56-49-44-40-37-31-23-13-2)65(59-51-35-27-17-6,60-52-42-33-25-15-4)66(58-29-19-8,61-47-28-18-7)64(21-10,54-20-9)62(11)53-46-34-26-16-5/h62H,12-61H2,1-11H3
InChIKeyJEBSDBKBALWKQB-UHFFFAOYSA-N
XLogP25.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds54
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.80
LogP ≤ 525.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane with MolForge

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Launch Full Analysis

Related Compounds

13-decyl-11-methyl-12-nonyl-12-octyl-13-undecylpentacosane
CID 141153698
15-decyl-16-dodecyl-14-heptyl-18-hexadecyl-13-hexyl-15-nonyl-14-octyl-18-pentadecyl-17-tetradecyl-17-tridecyl-16-undecylpentatriacontane
CID 91221048
13-decyl-14-dodecyl-12-heptyl-11-hexyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 141113065
13-decyl-14-dodecyl-12-heptyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 90777145
9-butyl-10-methyloctadecan-9-ol
CID 173066845
9-butan-2-yl-9-tert-butyl-12-decyl-11-heptyl-10-hexyl-12-nonyl-11-octyl-10-pentyltricosane
CID 141333598
10,10-dimethoxy-9-methyloctacosane
CID 151883229
5,5-dimethoxy-6-methyltetradecane
CID 150194841
7,7-dimethoxy-8-methylhexadecane
CID 150332936
10,10-dimethoxy-9-methylhenicosane
CID 150642222
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869

Frequently Asked Questions

What is the IUPAC name of 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane?
The IUPAC name of 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane (CID 141081090) is 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane.
What is the SMILES notation for 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane?
The canonical SMILES for 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane is CCCCCCCCCCC(CCCCCCCC)(CCCCCCCCC)C(CCCCCC)(CCCCCCC)C(CCCC)(CCCCC)C(CC)(CCC)C(C)CCCCCC.
What is the InChIKey of 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane?
The InChIKey is JEBSDBKBALWKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H134/c1-12-22-30-36-39-41-45-50-57-63(55-48-43-38-32-24-14-3,56-49-44-40-37-31-23-13-2)65(59-51-35-27-17-6,60-52-42-33-25-15-4)66(58-29-19-8,61-47-28-18-7)64(21-10,54-20-9)62(11)53-46-34-26-16-5/h62H,12-61H2,1-11H3.
What are the key properties of 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane?
9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane has a molecular weight of 927.80 g/mol, XLogP of 25.27, 54 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-8-ethyl-10-heptyl-10-hexyl-7-methyl-11-nonyl-11-octyl-9-pentyl-8-propylhenicosane is sourced from PubChem (CID 141081090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).