(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane

C12H20O3 — CID 11579383

IUPAC(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
SMILESC=C[C@H]1CCC[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O3/c1-4-9-6-5-7-10(14-9)11-8-13-12(2,3)15-11/h4,9-11H,1,5-8H2,2-3H3/t9-,10-,11+/m0/s1
InChIKeyPMLXWXDVCRDUOD-GARJFASQSA-N
MW212.29 g/mol
LogP2.26
Rot. Bonds2

About (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane (PubChem CID 11579383) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane.

Molecular Properties

Compound Name(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
PubChem CID11579383
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
SMILESC=C[C@H]1CCC[C@@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C12H20O3/c1-4-9-6-5-7-10(14-9)11-8-13-12(2,3)15-11/h4,9-11H,1,5-8H2,2-3H3/t9-,10-,11+/m0/s1
InChIKeyPMLXWXDVCRDUOD-GARJFASQSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane?
The IUPAC name of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane (CID 11579383) is (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane.
What is the SMILES notation for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane?
The canonical SMILES for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane is C=C[C@H]1CCC[C@@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane?
The InChIKey is PMLXWXDVCRDUOD-GARJFASQSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-9-6-5-7-10(14-9)11-8-13-12(2,3)15-11/h4,9-11H,1,5-8H2,2-3H3/t9-,10-,11+/m0/s1.
What are the key properties of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane?
(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane has a molecular weight of 212.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane is sourced from PubChem (CID 11579383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).