(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane

C16H26O5 — CID 11702127

IUPAC(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane
SMILESCC1(C)OC[C@H]([C@@H]2CCC[C@H]([C@H]3CC[C@H]([C@H]4CO4)O3)O2)O1
InChIInChI=1S/C16H26O5/c1-16(2)18-9-15(21-16)11-5-3-4-10(19-11)12-6-7-13(20-12)14-8-17-14/h10-15H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKeyVQCVEGFORDMIRA-RBTXIFOQSA-N
MW298.38 g/mol
LogP2.02
Rot. Bonds3

About (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane (PubChem CID 11702127) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane.

Molecular Properties

Compound Name(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane
PubChem CID11702127
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane
SMILESCC1(C)OC[C@H]([C@@H]2CCC[C@H]([C@H]3CC[C@H]([C@H]4CO4)O3)O2)O1
InChIInChI=1S/C16H26O5/c1-16(2)18-9-15(21-16)11-5-3-4-10(19-11)12-6-7-13(20-12)14-8-17-14/h10-15H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKeyVQCVEGFORDMIRA-RBTXIFOQSA-N
XLogP2.02
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane with MolForge

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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-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane?
The IUPAC name of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane (CID 11702127) is (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane.
What is the SMILES notation for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane?
The canonical SMILES for (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane is CC1(C)OC[C@H]([C@@H]2CCC[C@H]([C@H]3CC[C@H]([C@H]4CO4)O3)O2)O1.
What is the InChIKey of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane?
The InChIKey is VQCVEGFORDMIRA-RBTXIFOQSA-N. The full InChI is InChI=1S/C16H26O5/c1-16(2)18-9-15(21-16)11-5-3-4-10(19-11)12-6-7-13(20-12)14-8-17-14/h10-15H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15-/m1/s1.
What are the key properties of (2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane?
(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane has a molecular weight of 298.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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-[(2R,5R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxane is sourced from PubChem (CID 11702127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).