20-methyltetracontane

C41H84 — CID 20659070

IUPAC20-methyltetracontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H84/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-41(3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h41H,4-40H2,1-3H3
InChIKeyOKDCAGZEXPVVBC-UHFFFAOYSA-N
MW577.12 g/mol
LogP16.10
Rot. Bonds37

About 20-methyltetracontane

20-methyltetracontane (PubChem CID 20659070) has the molecular formula C41H84 and a molecular weight of 577.12 g/mol. Its IUPAC name is 20-methyltetracontane.

Molecular Properties

Compound Name20-methyltetracontane
PubChem CID20659070
Molecular FormulaC41H84
Molecular Weight577.12 g/mol
Exact Mass576.66
IUPAC Name20-methyltetracontane
SMILESCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H84/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-41(3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h41H,4-40H2,1-3H3
InChIKeyOKDCAGZEXPVVBC-UHFFFAOYSA-N
XLogP16.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds37
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.12
LogP ≤ 516.10
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
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
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 20-methyltetracontane?
The IUPAC name of 20-methyltetracontane (CID 20659070) is 20-methyltetracontane.
What is the SMILES notation for 20-methyltetracontane?
The canonical SMILES for 20-methyltetracontane is CCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 20-methyltetracontane?
The InChIKey is OKDCAGZEXPVVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H84/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-41(3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h41H,4-40H2,1-3H3.
What are the key properties of 20-methyltetracontane?
20-methyltetracontane has a molecular weight of 577.12 g/mol, XLogP of 16.10, 37 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 20-methyltetracontane is sourced from PubChem (CID 20659070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).