2,3-dimethyl-3-octoxyoxetane

C13H26O2 — CID 69249092

IUPAC2,3-dimethyl-3-octoxyoxetane
SMILESCCCCCCCCOC1(C)COC1C
InChIInChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(3)11-14-12(13)2/h12H,4-11H2,1-3H3
InChIKeyATJJUHCRKYGLSQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.54
Rot. Bonds8

About 2,3-dimethyl-3-octoxyoxetane

2,3-dimethyl-3-octoxyoxetane (PubChem CID 69249092) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-octoxyoxetane.

Molecular Properties

Compound Name2,3-dimethyl-3-octoxyoxetane
PubChem CID69249092
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2,3-dimethyl-3-octoxyoxetane
SMILESCCCCCCCCOC1(C)COC1C
InChIInChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(3)11-14-12(13)2/h12H,4-11H2,1-3H3
InChIKeyATJJUHCRKYGLSQ-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.54
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

Cyclododecane, (2-methoxyethoxy)-
CID 174103
3-(2-Fluorooctoxy)oxetane
CID 70632148
3-Dodecoxy-3-ethyloxetane
CID 140030620
2-(Dodecoxymethyl)-2-ethyloxetane
CID 174506334
2-Ethyl-2-(octoxymethyl)oxetane
CID 174647018
(3S)-2-hexyl-3-methoxyoxetane
CID 139265555
(3S)-2-decyl-3-methoxyoxetane
CID 139265556
(2R,3S)-2-cyclohexyl-3-ethoxy-3-methyloxetane
CID 162399724
2-Methoxyethoxycyclododecane (Ambrolignan)
CID 6429265
2-Butyl-2-(oxetan-2-yl)oxetane
CID 18374109
1-(1-Propan-2-yloxypropan-2-yloxy)octane
CID 19076985
2-Hexyl-2-(oxetan-2-yl)oxetane
CID 20492588

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-octoxyoxetane?
The IUPAC name of 2,3-dimethyl-3-octoxyoxetane (CID 69249092) is 2,3-dimethyl-3-octoxyoxetane.
What is the SMILES notation for 2,3-dimethyl-3-octoxyoxetane?
The canonical SMILES for 2,3-dimethyl-3-octoxyoxetane is CCCCCCCCOC1(C)COC1C.
What is the InChIKey of 2,3-dimethyl-3-octoxyoxetane?
The InChIKey is ATJJUHCRKYGLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(3)11-14-12(13)2/h12H,4-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-3-octoxyoxetane?
2,3-dimethyl-3-octoxyoxetane has a molecular weight of 214.35 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-octoxyoxetane is sourced from PubChem (CID 69249092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).