(4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one

C15H20O6 — CID 134831184

IUPAC(4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one
SMILESCC1(C)OCC([C@H]2OC(=O)C34OCCC3C3CCOC324)O1
InChIInChI=1S/C15H20O6/c1-13(2)19-7-10(21-13)11-14-8(3-5-17-14)9-4-6-18-15(9,14)12(16)20-11/h8-11H,3-7H2,1-2H3/t8?,9?,10?,11-,14?,15?/m1/s1
InChIKeyRWKFUSJFOJGTBP-ARPXAASFSA-N
MW296.32 g/mol
LogP0.63
Rot. Bonds1

About (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one

(4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one (PubChem CID 134831184) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one.

Molecular Properties

Compound Name(4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one
PubChem CID134831184
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one
SMILESCC1(C)OCC([C@H]2OC(=O)C34OCCC3C3CCOC324)O1
InChIInChI=1S/C15H20O6/c1-13(2)19-7-10(21-13)11-14-8(3-5-17-14)9-4-6-18-15(9,14)12(16)20-11/h8-11H,3-7H2,1-2H3/t8?,9?,10?,11-,14?,15?/m1/s1
InChIKeyRWKFUSJFOJGTBP-ARPXAASFSA-N
XLogP0.63
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one?
The IUPAC name of (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one (CID 134831184) is (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one.
What is the SMILES notation for (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one?
The canonical SMILES for (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one is CC1(C)OCC([C@H]2OC(=O)C34OCCC3C3CCOC324)O1.
What is the InChIKey of (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one?
The InChIKey is RWKFUSJFOJGTBP-ARPXAASFSA-N. The full InChI is InChI=1S/C15H20O6/c1-13(2)19-7-10(21-13)11-14-8(3-5-17-14)9-4-6-18-15(9,14)12(16)20-11/h8-11H,3-7H2,1-2H3/t8?,9?,10?,11-,14?,15?/m1/s1.
What are the key properties of (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one?
(4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one has a molecular weight of 296.32 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,6,13-trioxatetracyclo[8.3.0.01,5.05,9]tridecan-2-one is sourced from PubChem (CID 134831184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).