1-methoxy-2,22-dimethyltetracosane

C27H56O — CID 86173032

IUPAC1-methoxy-2,22-dimethyltetracosane
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCC(C)COC
InChIInChI=1S/C27H56O/c1-5-26(2)23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-27(3)25-28-4/h26-27H,5-25H2,1-4H3
InChIKeyLLQBSZBYWOAXHY-UHFFFAOYSA-N
MW396.74 g/mol
LogP9.73
Rot. Bonds23

About 1-methoxy-2,22-dimethyltetracosane

1-methoxy-2,22-dimethyltetracosane (PubChem CID 86173032) has the molecular formula C27H56O and a molecular weight of 396.74 g/mol. Its IUPAC name is 1-methoxy-2,22-dimethyltetracosane.

Molecular Properties

Compound Name1-methoxy-2,22-dimethyltetracosane
PubChem CID86173032
Molecular FormulaC27H56O
Molecular Weight396.74 g/mol
Exact Mass396.43
IUPAC Name1-methoxy-2,22-dimethyltetracosane
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCC(C)COC
InChIInChI=1S/C27H56O/c1-5-26(2)23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-27(3)25-28-4/h26-27H,5-25H2,1-4H3
InChIKeyLLQBSZBYWOAXHY-UHFFFAOYSA-N
XLogP9.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.74
LogP ≤ 59.73
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-methyldecane
CID 13444249
1-methoxy-2,12-dimethyldocosane
CID 91752253
1-methoxy-2,10,24-trimethylheptacosane
CID 86172880
1,11-dimethoxy-2-methylundecane
CID 118982395
methane;1-methoxy-2-methylbutane
CID 159281556
3,4,11-trimethyltridecane
CID 123211760
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,22-dimethyltetracosane?
The IUPAC name of 1-methoxy-2,22-dimethyltetracosane (CID 86173032) is 1-methoxy-2,22-dimethyltetracosane.
What is the SMILES notation for 1-methoxy-2,22-dimethyltetracosane?
The canonical SMILES for 1-methoxy-2,22-dimethyltetracosane is CCC(C)CCCCCCCCCCCCCCCCCCCC(C)COC.
What is the InChIKey of 1-methoxy-2,22-dimethyltetracosane?
The InChIKey is LLQBSZBYWOAXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O/c1-5-26(2)23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-27(3)25-28-4/h26-27H,5-25H2,1-4H3.
What are the key properties of 1-methoxy-2,22-dimethyltetracosane?
1-methoxy-2,22-dimethyltetracosane has a molecular weight of 396.74 g/mol, XLogP of 9.73, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,22-dimethyltetracosane is sourced from PubChem (CID 86173032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).