5,11-dimethylheptacosane

C29H60 — CID 6430065

IUPAC5,11-dimethylheptacosane
SMILESCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCC
InChIInChI=1S/C29H60/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-29(4)27-23-20-22-26-28(3)24-8-6-2/h28-29H,5-27H2,1-4H3
InChIKeyLQWRGKVAWZAWAM-UHFFFAOYSA-N
MW408.80 g/mol
LogP11.27
Rot. Bonds24

About 5,11-dimethylheptacosane

5,11-dimethylheptacosane (PubChem CID 6430065) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 5,11-dimethylheptacosane.

Molecular Properties

Compound Name5,11-dimethylheptacosane
PubChem CID6430065
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name5,11-dimethylheptacosane
SMILESCCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCC
InChIInChI=1S/C29H60/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-29(4)27-23-20-22-26-28(3)24-8-6-2/h28-29H,5-27H2,1-4H3
InChIKeyLQWRGKVAWZAWAM-UHFFFAOYSA-N
XLogP11.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 511.27
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

5-methylicosane
CID 527472
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
5,8,18,24-tetramethylhentriacontane
CID 6430103
5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethylheptacosane?
The IUPAC name of 5,11-dimethylheptacosane (CID 6430065) is 5,11-dimethylheptacosane.
What is the SMILES notation for 5,11-dimethylheptacosane?
The canonical SMILES for 5,11-dimethylheptacosane is CCCCCCCCCCCCCCCCC(C)CCCCCC(C)CCCC.
What is the InChIKey of 5,11-dimethylheptacosane?
The InChIKey is LQWRGKVAWZAWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-29(4)27-23-20-22-26-28(3)24-8-6-2/h28-29H,5-27H2,1-4H3.
What are the key properties of 5,11-dimethylheptacosane?
5,11-dimethylheptacosane has a molecular weight of 408.80 g/mol, XLogP of 11.27, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethylheptacosane is sourced from PubChem (CID 6430065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).