(2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane

C17H32O4 — CID 135048530

IUPAC(2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane
SMILESCC[C@@H](C)[C@@H]1O[C@@H](C)O[C@@H]([C@]2(C)O[C@@H](C)O[C@@H]2CC)[C@H]1C
InChIInChI=1S/C17H32O4/c1-8-10(3)15-11(4)16(20-12(5)19-15)17(7)14(9-2)18-13(6)21-17/h10-16H,8-9H2,1-7H3/t10-,11+,12-,13+,14-,15+,16-,17-/m1/s1
InChIKeyUXDIDCKANWUVPK-VICCEGCOSA-N
MW300.44 g/mol
LogP3.73
Rot. Bonds4

About (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane

(2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane (PubChem CID 135048530) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane
PubChem CID135048530
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name(2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane
SMILESCC[C@@H](C)[C@@H]1O[C@@H](C)O[C@@H]([C@]2(C)O[C@@H](C)O[C@@H]2CC)[C@H]1C
InChIInChI=1S/C17H32O4/c1-8-10(3)15-11(4)16(20-12(5)19-15)17(7)14(9-2)18-13(6)21-17/h10-16H,8-9H2,1-7H3/t10-,11+,12-,13+,14-,15+,16-,17-/m1/s1
InChIKeyUXDIDCKANWUVPK-VICCEGCOSA-N
XLogP3.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane?
The IUPAC name of (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane (CID 135048530) is (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane is CC[C@@H](C)[C@@H]1O[C@@H](C)O[C@@H]([C@]2(C)O[C@@H](C)O[C@@H]2CC)[C@H]1C.
What is the InChIKey of (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane?
The InChIKey is UXDIDCKANWUVPK-VICCEGCOSA-N. The full InChI is InChI=1S/C17H32O4/c1-8-10(3)15-11(4)16(20-12(5)19-15)17(7)14(9-2)18-13(6)21-17/h10-16H,8-9H2,1-7H3/t10-,11+,12-,13+,14-,15+,16-,17-/m1/s1.
What are the key properties of (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane?
(2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane has a molecular weight of 300.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,6R)-4-[(2R)-butan-2-yl]-6-[(2S,4R,5R)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 135048530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).