2,3-dichloro-2-methyl-1,4-dioxane

C5H8Cl2O2 — CID 13155217

IUPAC2,3-dichloro-2-methyl-1,4-dioxane
SMILESCC1(Cl)OCCOC1Cl
InChIInChI=1S/C5H8Cl2O2/c1-5(7)4(6)8-2-3-9-5/h4H,2-3H2,1H3
InChIKeyDXKNAQVDCPOSSF-UHFFFAOYSA-N
MW171.02 g/mol
LogP1.55
Rot. Bonds

About 2,3-dichloro-2-methyl-1,4-dioxane

2,3-dichloro-2-methyl-1,4-dioxane (PubChem CID 13155217) has the molecular formula C5H8Cl2O2 and a molecular weight of 171.02 g/mol. Its IUPAC name is 2,3-dichloro-2-methyl-1,4-dioxane.

Molecular Properties

Compound Name2,3-dichloro-2-methyl-1,4-dioxane
PubChem CID13155217
Molecular FormulaC5H8Cl2O2
Molecular Weight171.02 g/mol
Exact Mass169.99
IUPAC Name2,3-dichloro-2-methyl-1,4-dioxane
SMILESCC1(Cl)OCCOC1Cl
InChIInChI=1S/C5H8Cl2O2/c1-5(7)4(6)8-2-3-9-5/h4H,2-3H2,1H3
InChIKeyDXKNAQVDCPOSSF-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.02
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 19593698
CID 19593698
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
2-chloro-2-methyloxirane
CID 15120421
(3,3-dimethyl-1,4-dioxan-2-yl)methanethiol
CID 154809652
(1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 57413279
6-bromo-6-chloro-1,4-dioxepane-5,7-diol
CID 71398250
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
3-chloro-2-ethyl-2-methyloxolane
CID 13494584
(3,3-dimethyl-1,4-dioxan-2-yl)methanesulfonamide
CID 146050057
2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
8-methyl-1,5,7,9,12-pentaoxaspiro[5.6]dodecane
CID 142006895
2,2-dimethyloxolan-3-amine
CID 59657974

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-2-methyl-1,4-dioxane?
The IUPAC name of 2,3-dichloro-2-methyl-1,4-dioxane (CID 13155217) is 2,3-dichloro-2-methyl-1,4-dioxane.
What is the SMILES notation for 2,3-dichloro-2-methyl-1,4-dioxane?
The canonical SMILES for 2,3-dichloro-2-methyl-1,4-dioxane is CC1(Cl)OCCOC1Cl.
What is the InChIKey of 2,3-dichloro-2-methyl-1,4-dioxane?
The InChIKey is DXKNAQVDCPOSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O2/c1-5(7)4(6)8-2-3-9-5/h4H,2-3H2,1H3.
What are the key properties of 2,3-dichloro-2-methyl-1,4-dioxane?
2,3-dichloro-2-methyl-1,4-dioxane has a molecular weight of 171.02 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2-methyl-1,4-dioxane is sourced from PubChem (CID 13155217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).