3-chloro-2-ethyl-2-methyloxolane

C7H13ClO — CID 13494584

IUPAC3-chloro-2-ethyl-2-methyloxolane
SMILESCCC1(C)OCCC1Cl
InChIInChI=1S/C7H13ClO/c1-3-7(2)6(8)4-5-9-7/h6H,3-5H2,1-2H3
InChIKeyJXMMXSFLTBLCNK-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.18
Rot. Bonds1

About 3-chloro-2-ethyl-2-methyloxolane

3-chloro-2-ethyl-2-methyloxolane (PubChem CID 13494584) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 3-chloro-2-ethyl-2-methyloxolane.

Molecular Properties

Compound Name3-chloro-2-ethyl-2-methyloxolane
PubChem CID13494584
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name3-chloro-2-ethyl-2-methyloxolane
SMILESCCC1(C)OCCC1Cl
InChIInChI=1S/C7H13ClO/c1-3-7(2)6(8)4-5-9-7/h6H,3-5H2,1-2H3
InChIKeyJXMMXSFLTBLCNK-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3,3-dimethyloxane
CID 13087284
(2R,4S)-2-(chloromethyl)-2,4-dimethyl-1,3-dioxane
CID 55303360
2,2-diethyloxolan-3-ol
CID 130122256
9-chloro-3-ethyl-6-oxaspiro[4.5]decane
CID 64515030
(3R,4R)-3-chloro-4-ethyl-4-methyloxetan-2-one
CID 130935409
2-chloro-1-[(2S,4R)-2-ethyl-2-methyloxan-4-yl]ethanone
CID 911155
2-cyclopropyl-2-ethyloxan-4-ol
CID 64919382
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732
(4S,9S)-4,9-diethyl-1,6-dioxaspiro[4.4]nonane
CID 15722713
(4S)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxane
CID 174865524
4-(chloromethyl)-2,2-dimethyl-1,3-dioxane
CID 130696615
2-ethyl-2-methyloxane-4-carbonitrile
CID 12822947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-2-methyloxolane?
The IUPAC name of 3-chloro-2-ethyl-2-methyloxolane (CID 13494584) is 3-chloro-2-ethyl-2-methyloxolane.
What is the SMILES notation for 3-chloro-2-ethyl-2-methyloxolane?
The canonical SMILES for 3-chloro-2-ethyl-2-methyloxolane is CCC1(C)OCCC1Cl.
What is the InChIKey of 3-chloro-2-ethyl-2-methyloxolane?
The InChIKey is JXMMXSFLTBLCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-3-7(2)6(8)4-5-9-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-chloro-2-ethyl-2-methyloxolane?
3-chloro-2-ethyl-2-methyloxolane has a molecular weight of 148.63 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-2-methyloxolane is sourced from PubChem (CID 13494584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).