3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane

C15H32ClNO2 — CID 142532435

IUPAC3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane
SMILESCCC.CCC(C)CC1OCCCO1.ClC1CNC1
InChIInChI=1S/C9H18O2.C3H6ClN.C3H8/c1-3-8(2)7-9-10-5-4-6-11-9;4-3-1-5-2-3;1-3-2/h8-9H,3-7H2,1-2H3;3,5H,1-2H2;3H2,1-2H3
InChIKeyRKEAUZTXGFDGBG-UHFFFAOYSA-N
MW293.88 g/mol
LogP3.80
Rot. Bonds3

About 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane

3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane (PubChem CID 142532435) has the molecular formula C15H32ClNO2 and a molecular weight of 293.88 g/mol. Its IUPAC name is 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane.

Molecular Properties

Compound Name3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane
PubChem CID142532435
Molecular FormulaC15H32ClNO2
Molecular Weight293.88 g/mol
Exact Mass293.21
IUPAC Name3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane
SMILESCCC.CCC(C)CC1OCCCO1.ClC1CNC1
InChIInChI=1S/C9H18O2.C3H6ClN.C3H8/c1-3-8(2)7-9-10-5-4-6-11-9;4-3-1-5-2-3;1-3-2/h8-9H,3-7H2,1-2H3;3,5H,1-2H2;3H2,1-2H3
InChIKeyRKEAUZTXGFDGBG-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
(3R,4S)-7-(1,3-dioxan-2-yl)-6-methylhept-1-ene-3,4-diol
CID 101487132
2-(2-methylbutyl)oxirane
CID 534610
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
2-butan-2-yl-1,3-dioxane
CID 20509708
4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
CID 70443822
4-methyl-1-(oxolan-2-yl)hexan-2-one
CID 62621142
2-ethyl-1,3-dioxane;bis(prop-2-enoic acid)
CID 161100556
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123

Frequently Asked Questions

What is the IUPAC name of 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane?
The IUPAC name of 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane (CID 142532435) is 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane.
What is the SMILES notation for 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane?
The canonical SMILES for 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane is CCC.CCC(C)CC1OCCCO1.ClC1CNC1.
What is the InChIKey of 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane?
The InChIKey is RKEAUZTXGFDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C3H6ClN.C3H8/c1-3-8(2)7-9-10-5-4-6-11-9;4-3-1-5-2-3;1-3-2/h8-9H,3-7H2,1-2H3;3,5H,1-2H2;3H2,1-2H3.
What are the key properties of 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane?
3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane has a molecular weight of 293.88 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane is sourced from PubChem (CID 142532435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).