11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane

C60H122 — CID 141086916

IUPAC11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane
SMILESCCCCCCCCCCCCC(C)(C)C(CCCCCCCCC)(CCCCCCCCCC)C(CCCCCCC)(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C60H122/c1-9-15-21-27-32-34-35-38-41-46-52-58(7,8)60(56-50-44-37-30-24-18-12-4,57-51-45-39-33-28-22-16-10-2)59(53-47-40-26-20-14-6,54-48-42-31-25-19-13-5)55-49-43-36-29-23-17-11-3/h9-57H2,1-8H3
InChIKeyIKUXVPQISABDRX-UHFFFAOYSA-N
MW843.64 g/mol
LogP23.22
Rot. Bonds51

About 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane

11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane (PubChem CID 141086916) has the molecular formula C60H122 and a molecular weight of 843.64 g/mol. Its IUPAC name is 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane.

Molecular Properties

Compound Name11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane
PubChem CID141086916
Molecular FormulaC60H122
Molecular Weight843.64 g/mol
Exact Mass842.95
IUPAC Name11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane
SMILESCCCCCCCCCCCCC(C)(C)C(CCCCCCCCC)(CCCCCCCCCC)C(CCCCCCC)(CCCCCCCC)CCCCCCCCC
InChIInChI=1S/C60H122/c1-9-15-21-27-32-34-35-38-41-46-52-58(7,8)60(56-50-44-37-30-24-18-12-4,57-51-45-39-33-28-22-16-10-2)59(53-47-40-26-20-14-6,54-48-42-31-25-19-13-5)55-49-43-36-29-23-17-11-3/h9-57H2,1-8H3
InChIKeyIKUXVPQISABDRX-UHFFFAOYSA-N
XLogP23.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds51
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.64
LogP ≤ 523.22
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-decyl-14-dodecyl-12-heptyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 90777145
5,5,6,6-tetramethyltridecane
CID 173349107
11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-pentadecakis-decyloctacosan-11-ol
CID 175133845
3,3-diethyl-2-methylheptadecan-2-amine
CID 139431028
5-butyl-5-methylpentadecane
CID 174700907
2,3,3-trimethylnonan-2-ol
CID 149434403
2,2,3,3,4,4-hexadodecyloctadecanoic acid
CID 90043228
13-decyl-14-dodecyl-12-heptyl-11-hexyl-13-nonyl-12-octyl-14-undecylheptacosane
CID 141113065
2-methyl-2-(2-methylnonan-2-yl)propanedioic acid
CID 175181388
9-butan-2-yl-9-tert-butyl-12-decyl-11-heptyl-10-hexyl-12-nonyl-11-octyl-10-pentyltricosane
CID 141333598
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388

Frequently Asked Questions

What is the IUPAC name of 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane?
The IUPAC name of 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane (CID 141086916) is 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane.
What is the SMILES notation for 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane?
The canonical SMILES for 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane is CCCCCCCCCCCCC(C)(C)C(CCCCCCCCC)(CCCCCCCCCC)C(CCCCCCC)(CCCCCCCC)CCCCCCCCC.
What is the InChIKey of 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane?
The InChIKey is IKUXVPQISABDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H122/c1-9-15-21-27-32-34-35-38-41-46-52-58(7,8)60(56-50-44-37-30-24-18-12-4,57-51-45-39-33-28-22-16-10-2)59(53-47-40-26-20-14-6,54-48-42-31-25-19-13-5)55-49-43-36-29-23-17-11-3/h9-57H2,1-8H3.
What are the key properties of 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane?
11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane has a molecular weight of 843.64 g/mol, XLogP of 23.22, 51 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-decyl-10-heptyl-12,12-dimethyl-11-nonyl-10-octyltetracosane is sourced from PubChem (CID 141086916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).