27-methyltripentacontane

C54H110 — CID 91450521

IUPAC27-methyltripentacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H110/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54(3)53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h54H,4-53H2,1-3H3
InChIKeyIDXYCWPJHXRHKO-UHFFFAOYSA-N
MW759.47 g/mol
LogP21.17
Rot. Bonds50

About 27-methyltripentacontane

27-methyltripentacontane (PubChem CID 91450521) has the molecular formula C54H110 and a molecular weight of 759.47 g/mol. Its IUPAC name is 27-methyltripentacontane.

Molecular Properties

Compound Name27-methyltripentacontane
PubChem CID91450521
Molecular FormulaC54H110
Molecular Weight759.47 g/mol
Exact Mass758.86
IUPAC Name27-methyltripentacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C54H110/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54(3)53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h54H,4-53H2,1-3H3
InChIKeyIDXYCWPJHXRHKO-UHFFFAOYSA-N
XLogP21.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds50
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.47
LogP ≤ 521.17
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

6-methyloctacosane
CID 22223942
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of 27-methyltripentacontane?
The IUPAC name of 27-methyltripentacontane (CID 91450521) is 27-methyltripentacontane.
What is the SMILES notation for 27-methyltripentacontane?
The canonical SMILES for 27-methyltripentacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 27-methyltripentacontane?
The InChIKey is IDXYCWPJHXRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H110/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-54(3)53-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h54H,4-53H2,1-3H3.
What are the key properties of 27-methyltripentacontane?
27-methyltripentacontane has a molecular weight of 759.47 g/mol, XLogP of 21.17, 50 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 27-methyltripentacontane is sourced from PubChem (CID 91450521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).