4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane

C14H26O5 — CID 135010892

IUPAC4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCOC(C)(C)O[C@@H]1C[C@H](C)[C@@H](C2COC(C)(C)O2)O1
InChIInChI=1S/C14H26O5/c1-9-7-11(19-13(2,3)15-6)17-12(9)10-8-16-14(4,5)18-10/h9-12H,7-8H2,1-6H3/t9-,10?,11+,12-/m0/s1
InChIKeyRMUGBBVFXAXYLK-BEZGRXCVSA-N
MW274.36 g/mol
LogP2.29
Rot. Bonds4

About 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane

4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 135010892) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane
PubChem CID135010892
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESCOC(C)(C)O[C@@H]1C[C@H](C)[C@@H](C2COC(C)(C)O2)O1
InChIInChI=1S/C14H26O5/c1-9-7-11(19-13(2,3)15-6)17-12(9)10-8-16-14(4,5)18-10/h9-12H,7-8H2,1-6H3/t9-,10?,11+,12-/m0/s1
InChIKeyRMUGBBVFXAXYLK-BEZGRXCVSA-N
XLogP2.29
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane (CID 135010892) is 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane is COC(C)(C)O[C@@H]1C[C@H](C)[C@@H](C2COC(C)(C)O2)O1.
What is the InChIKey of 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is RMUGBBVFXAXYLK-BEZGRXCVSA-N. The full InChI is InChI=1S/C14H26O5/c1-9-7-11(19-13(2,3)15-6)17-12(9)10-8-16-14(4,5)18-10/h9-12H,7-8H2,1-6H3/t9-,10?,11+,12-/m0/s1.
What are the key properties of 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane?
4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 274.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 135010892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).