2-methyl-2-octadecyl-1,4-dioxane

C23H46O2 — CID 150538207

IUPAC2-methyl-2-octadecyl-1,4-dioxane
SMILESCCCCCCCCCCCCCCCCCCC1(C)COCCO1
InChIInChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-24-20-21-25-23/h3-22H2,1-2H3
InChIKeyIFHOLJNRNBQZSA-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.44
Rot. Bonds17

About 2-methyl-2-octadecyl-1,4-dioxane

2-methyl-2-octadecyl-1,4-dioxane (PubChem CID 150538207) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 2-methyl-2-octadecyl-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-2-octadecyl-1,4-dioxane
PubChem CID150538207
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name2-methyl-2-octadecyl-1,4-dioxane
SMILESCCCCCCCCCCCCCCCCCCC1(C)COCCO1
InChIInChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-24-20-21-25-23/h3-22H2,1-2H3
InChIKeyIFHOLJNRNBQZSA-UHFFFAOYSA-N
XLogP7.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-pentyloxirane
CID 559073
2-ethyl-2-methyl-1,4-dioxane
CID 21332866
2-heptyl-2-methyloxolane
CID 66630336
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
CID 59339950
2-methyl-2-nonadecyloxirane;phosphoric acid
CID 87754305
2-hexyl-2-methyloxane
CID 67835603
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-octadecyl-1,4-dioxane?
The IUPAC name of 2-methyl-2-octadecyl-1,4-dioxane (CID 150538207) is 2-methyl-2-octadecyl-1,4-dioxane.
What is the SMILES notation for 2-methyl-2-octadecyl-1,4-dioxane?
The canonical SMILES for 2-methyl-2-octadecyl-1,4-dioxane is CCCCCCCCCCCCCCCCCCC1(C)COCCO1.
What is the InChIKey of 2-methyl-2-octadecyl-1,4-dioxane?
The InChIKey is IFHOLJNRNBQZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-24-20-21-25-23/h3-22H2,1-2H3.
What are the key properties of 2-methyl-2-octadecyl-1,4-dioxane?
2-methyl-2-octadecyl-1,4-dioxane has a molecular weight of 354.62 g/mol, XLogP of 7.44, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-octadecyl-1,4-dioxane is sourced from PubChem (CID 150538207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).