(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane

C6H11ClO2 — CID 55301636

IUPAC(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
SMILESCC[C@H]1OC[C@@H](CCl)O1
InChIInChI=1S/C6H11ClO2/c1-2-6-8-4-5(3-7)9-6/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyPFNVSSQQQAZRJQ-RITPCOANSA-N
MW150.60 g/mol
LogP1.38
Rot. Bonds2

About (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane

(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane (PubChem CID 55301636) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
PubChem CID55301636
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
SMILESCC[C@H]1OC[C@@H](CCl)O1
InChIInChI=1S/C6H11ClO2/c1-2-6-8-4-5(3-7)9-6/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyPFNVSSQQQAZRJQ-RITPCOANSA-N
XLogP1.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.38
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

4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
CID 22596460
butane;2-(chloromethyl)oxirane
CID 174952392
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
CID 173012465
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
(2S)-2-ethyl-1,3-dioxolan-4-ol
CID 59048685
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
(2S,4R)-4-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 23262096
(2S,4R,5S)-2-ethyl-4-methyl-1,3-dioxan-5-ol
CID 70592812
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane
CID 131230379
4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
CID 67926548

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane (CID 55301636) is (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane is CC[C@H]1OC[C@@H](CCl)O1.
What is the InChIKey of (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane?
The InChIKey is PFNVSSQQQAZRJQ-RITPCOANSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-2-6-8-4-5(3-7)9-6/h5-6H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane?
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane has a molecular weight of 150.60 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 55301636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).