4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane

C7H11ClO2 — CID 67926548

IUPAC4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OCC(CCl)O1
InChIInChI=1S/C7H11ClO2/c1-5(2)7-9-4-6(3-8)10-7/h6-7H,1,3-4H2,2H3
InChIKeyXZXMTKOSYXYKFM-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.54
Rot. Bonds2

About 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane

4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 67926548) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
PubChem CID67926548
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1OCC(CCl)O1
InChIInChI=1S/C7H11ClO2/c1-5(2)7-9-4-6(3-8)10-7/h6-7H,1,3-4H2,2H3
InChIKeyXZXMTKOSYXYKFM-UHFFFAOYSA-N
XLogP1.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
butane;2-(chloromethyl)oxirane
CID 174952392
[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane
CID 145109293
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
CID 173012465
(2S,4R)-4-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 23262096
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
2-(chloromethyl)oxirane;dihydroxy(oxo)silane
CID 88521113
4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
CID 22596460
2-(chloromethyl)oxirane;prop-2-enamide
CID 161187298
2,2-bis(bromomethyl)propane-1,3-diol;2-(chloromethyl)oxirane
CID 156595168

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane (CID 67926548) is 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane is C=C(C)C1OCC(CCl)O1.
What is the InChIKey of 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is XZXMTKOSYXYKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-5(2)7-9-4-6(3-8)10-7/h6-7H,1,3-4H2,2H3.
What are the key properties of 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane?
4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 162.62 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 67926548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).