1-methoxy-8,14,20-trimethylnonacosane

C33H68O — CID 155293079

IUPAC1-methoxy-8,14,20-trimethylnonacosane
SMILESCCCCCCCCCC(C)CCCCCC(C)CCCCCC(C)CCCCCCCOC
InChIInChI=1S/C33H68O/c1-6-7-8-9-10-12-17-24-31(2)26-19-15-21-28-33(4)29-22-16-20-27-32(3)25-18-13-11-14-23-30-34-5/h31-33H,6-30H2,1-5H3
InChIKeyZMCXNOWDOZOQMQ-UHFFFAOYSA-N
MW480.91 g/mol
LogP11.92
Rot. Bonds28

About 1-methoxy-8,14,20-trimethylnonacosane

1-methoxy-8,14,20-trimethylnonacosane (PubChem CID 155293079) has the molecular formula C33H68O and a molecular weight of 480.91 g/mol. Its IUPAC name is 1-methoxy-8,14,20-trimethylnonacosane.

Molecular Properties

Compound Name1-methoxy-8,14,20-trimethylnonacosane
PubChem CID155293079
Molecular FormulaC33H68O
Molecular Weight480.91 g/mol
Exact Mass480.53
IUPAC Name1-methoxy-8,14,20-trimethylnonacosane
SMILESCCCCCCCCCC(C)CCCCCC(C)CCCCCC(C)CCCCCCCOC
InChIInChI=1S/C33H68O/c1-6-7-8-9-10-12-17-24-31(2)26-19-15-21-28-33(4)29-22-16-20-27-32(3)25-18-13-11-14-23-30-34-5/h31-33H,6-30H2,1-5H3
InChIKeyZMCXNOWDOZOQMQ-UHFFFAOYSA-N
XLogP11.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.91
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2,12-dimethyldocosane
CID 91752253
1-methoxy-2-methyldecane
CID 13444249
1,11-dimethoxy-2-methylundecane
CID 118982395
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8,14,20-trimethylnonacosane?
The IUPAC name of 1-methoxy-8,14,20-trimethylnonacosane (CID 155293079) is 1-methoxy-8,14,20-trimethylnonacosane.
What is the SMILES notation for 1-methoxy-8,14,20-trimethylnonacosane?
The canonical SMILES for 1-methoxy-8,14,20-trimethylnonacosane is CCCCCCCCCC(C)CCCCCC(C)CCCCCC(C)CCCCCCCOC.
What is the InChIKey of 1-methoxy-8,14,20-trimethylnonacosane?
The InChIKey is ZMCXNOWDOZOQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O/c1-6-7-8-9-10-12-17-24-31(2)26-19-15-21-28-33(4)29-22-16-20-27-32(3)25-18-13-11-14-23-30-34-5/h31-33H,6-30H2,1-5H3.
What are the key properties of 1-methoxy-8,14,20-trimethylnonacosane?
1-methoxy-8,14,20-trimethylnonacosane has a molecular weight of 480.91 g/mol, XLogP of 11.92, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8,14,20-trimethylnonacosane is sourced from PubChem (CID 155293079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).