(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane

C7H13ClO3 — CID 131230379

IUPAC(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane
SMILESCCCO[C@@H]1OC[C@H](CCl)O1
InChIInChI=1S/C7H13ClO3/c1-2-3-9-7-10-5-6(4-8)11-7/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyOQJGYLIBCYSQPI-NKWVEPMBSA-N
MW180.63 g/mol
LogP1.35
Rot. Bonds4

About (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane

(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane (PubChem CID 131230379) has the molecular formula C7H13ClO3 and a molecular weight of 180.63 g/mol. Its IUPAC name is (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane
PubChem CID131230379
Molecular FormulaC7H13ClO3
Molecular Weight180.63 g/mol
Exact Mass180.06
IUPAC Name(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane
SMILESCCCO[C@@H]1OC[C@H](CCl)O1
InChIInChI=1S/C7H13ClO3/c1-2-3-9-7-10-5-6(4-8)11-7/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyOQJGYLIBCYSQPI-NKWVEPMBSA-N
XLogP1.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4R)-4-(chloromethyl)-2-propoxy-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-propoxy-4-[(2-propoxy-1,3-dioxolan-4-yl)methoxymethyl]-1,3-dioxolane
CID 171415370
4-methyl-2-propoxy-1,3-dioxolane
CID 88804523
butane;2-(chloromethyl)oxirane
CID 174952392
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
4-(chloromethyl)-2-(4-propoxyphenyl)-1,3-dioxolane
CID 82774938
2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
CID 173012465
2-(propoxymethyl)oxirane
CID 18406
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
CID 67926548
2-(propylperoxymethyl)oxirane
CID 54276351

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane?
The IUPAC name of (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane (CID 131230379) is (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane?
The canonical SMILES for (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane is CCCO[C@@H]1OC[C@H](CCl)O1.
What is the InChIKey of (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane?
The InChIKey is OQJGYLIBCYSQPI-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13ClO3/c1-2-3-9-7-10-5-6(4-8)11-7/h6-7H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane?
(2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane has a molecular weight of 180.63 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(chloromethyl)-2-propoxy-1,3-dioxolane is sourced from PubChem (CID 131230379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).