(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione

C16H24O4 — CID 102033627

IUPAC(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione
SMILESCC1(C)CC(=O)[C@@H]2[C@H]3C(=O)CC(C)(C)O[C@@]3(C)[C@]2(C)O1
InChIInChI=1S/C16H24O4/c1-13(2)7-9(17)11-12-10(18)8-14(3,4)20-16(12,6)15(11,5)19-13/h11-12H,7-8H2,1-6H3/t11-,12-,15-,16-/m1/s1
InChIKeyKRLMKYNOAYIGRO-CZPYZCIJSA-N
MW280.36 g/mol
LogP2.29
Rot. Bonds

About (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione

(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione (PubChem CID 102033627) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione.

Molecular Properties

Compound Name(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione
PubChem CID102033627
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione
SMILESCC1(C)CC(=O)[C@@H]2[C@H]3C(=O)CC(C)(C)O[C@@]3(C)[C@]2(C)O1
InChIInChI=1S/C16H24O4/c1-13(2)7-9(17)11-12-10(18)8-14(3,4)20-16(12,6)15(11,5)19-13/h11-12H,7-8H2,1-6H3/t11-,12-,15-,16-/m1/s1
InChIKeyKRLMKYNOAYIGRO-CZPYZCIJSA-N
XLogP2.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione?
The IUPAC name of (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione (CID 102033627) is (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione.
What is the SMILES notation for (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione?
The canonical SMILES for (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione is CC1(C)CC(=O)[C@@H]2[C@H]3C(=O)CC(C)(C)O[C@@]3(C)[C@]2(C)O1.
What is the InChIKey of (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione?
The InChIKey is KRLMKYNOAYIGRO-CZPYZCIJSA-N. The full InChI is InChI=1S/C16H24O4/c1-13(2)7-9(17)11-12-10(18)8-14(3,4)20-16(12,6)15(11,5)19-13/h11-12H,7-8H2,1-6H3/t11-,12-,15-,16-/m1/s1.
What are the key properties of (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione?
(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione has a molecular weight of 280.36 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione is sourced from PubChem (CID 102033627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).