3-dodecoxy-3-ethyl-2-methyloxetane

C18H36O2 — CID 57230174

IUPAC3-dodecoxy-3-ethyl-2-methyloxetane
SMILESCCCCCCCCCCCCOC1(CC)COC1C
InChIInChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-14-15-20-18(5-2)16-19-17(18)3/h17H,4-16H2,1-3H3
InChIKeyUPXGWVMPVHCVJP-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.49
Rot. Bonds13

About 3-dodecoxy-3-ethyl-2-methyloxetane

3-dodecoxy-3-ethyl-2-methyloxetane (PubChem CID 57230174) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 3-dodecoxy-3-ethyl-2-methyloxetane.

Molecular Properties

Compound Name3-dodecoxy-3-ethyl-2-methyloxetane
PubChem CID57230174
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name3-dodecoxy-3-ethyl-2-methyloxetane
SMILESCCCCCCCCCCCCOC1(CC)COC1C
InChIInChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-14-15-20-18(5-2)16-19-17(18)3/h17H,4-16H2,1-3H3
InChIKeyUPXGWVMPVHCVJP-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.49
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

[1-(Hexadecyloxy)-1-methylethyl]oxirane
CID 21242384
3-Dodecoxy-3-ethyloxetane
CID 140030620
2-(Dodecoxymethyl)-2-ethyloxetane
CID 174506334
2-Ethyl-2-(octoxymethyl)oxetane
CID 174647018
(2R)-2-hexadecyl-2-methyloxetane
CID 11426468
n-Propyl-n-dodecyl-triglykolather
CID 129647951
1-[1,3-Bis(2-ethylhexoxy)propan-2-yloxy]octane
CID 85893602
2,2,3,3-Tetramethyl-9-tetradecyl-1,4,8,11-tetraoxacyclotetradecane
CID 14970493
5-Butoxy-5-(butoxymethyl)nonane
CID 17841387
2-Butyl-2-(oxetan-2-yl)oxetane
CID 18374109
1-Tetradecyloxy-3-methyl-2-butene oxide
CID 19694596
1-[2-(2-Methylhexan-2-yloxy)ethoxy]decane
CID 20751264

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxy-3-ethyl-2-methyloxetane?
The IUPAC name of 3-dodecoxy-3-ethyl-2-methyloxetane (CID 57230174) is 3-dodecoxy-3-ethyl-2-methyloxetane.
What is the SMILES notation for 3-dodecoxy-3-ethyl-2-methyloxetane?
The canonical SMILES for 3-dodecoxy-3-ethyl-2-methyloxetane is CCCCCCCCCCCCOC1(CC)COC1C.
What is the InChIKey of 3-dodecoxy-3-ethyl-2-methyloxetane?
The InChIKey is UPXGWVMPVHCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-14-15-20-18(5-2)16-19-17(18)3/h17H,4-16H2,1-3H3.
What are the key properties of 3-dodecoxy-3-ethyl-2-methyloxetane?
3-dodecoxy-3-ethyl-2-methyloxetane has a molecular weight of 284.48 g/mol, XLogP of 5.49, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxy-3-ethyl-2-methyloxetane is sourced from PubChem (CID 57230174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).