2-icosyl-2-methyloxirane

C23H46O — CID 87753382

IUPAC2-icosyl-2-methyloxirane
SMILESCCCCCCCCCCCCCCCCCCCCC1(C)CO1
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2)22-24-23/h3-22H2,1-2H3
InChIKeyGFMZNNYRFQCJLV-UHFFFAOYSA-N
MW338.62 g/mol
LogP8.21
Rot. Bonds19

About 2-icosyl-2-methyloxirane

2-icosyl-2-methyloxirane (PubChem CID 87753382) has the molecular formula C23H46O and a molecular weight of 338.62 g/mol. Its IUPAC name is 2-icosyl-2-methyloxirane.

Molecular Properties

Compound Name2-icosyl-2-methyloxirane
PubChem CID87753382
Molecular FormulaC23H46O
Molecular Weight338.62 g/mol
Exact Mass338.35
IUPAC Name2-icosyl-2-methyloxirane
SMILESCCCCCCCCCCCCCCCCCCCCC1(C)CO1
InChIInChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2)22-24-23/h3-22H2,1-2H3
InChIKeyGFMZNNYRFQCJLV-UHFFFAOYSA-N
XLogP8.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-pentyloxirane
CID 559073
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
CID 59339950
2-methyl-2-nonadecyloxirane;phosphoric acid
CID 87754305
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-heptyl-2-methyloxolane
CID 66630336
4-methyl-1-octadecyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 129036209
2-hexyl-2-methyloxane
CID 67835603
2-hexyl-2-propyloxirane
CID 139691135
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506

Frequently Asked Questions

What is the IUPAC name of 2-icosyl-2-methyloxirane?
The IUPAC name of 2-icosyl-2-methyloxirane (CID 87753382) is 2-icosyl-2-methyloxirane.
What is the SMILES notation for 2-icosyl-2-methyloxirane?
The canonical SMILES for 2-icosyl-2-methyloxirane is CCCCCCCCCCCCCCCCCCCCC1(C)CO1.
What is the InChIKey of 2-icosyl-2-methyloxirane?
The InChIKey is GFMZNNYRFQCJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2)22-24-23/h3-22H2,1-2H3.
What are the key properties of 2-icosyl-2-methyloxirane?
2-icosyl-2-methyloxirane has a molecular weight of 338.62 g/mol, XLogP of 8.21, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-icosyl-2-methyloxirane is sourced from PubChem (CID 87753382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).