(1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

C10H14O3 — CID 11876871

IUPAC(1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESC[C@]12C(=O)OC[C@@H]1[C@]1(C)CC[C@H]2O1
InChIInChI=1S/C10H14O3/c1-9-4-3-7(13-9)10(2)6(9)5-12-8(10)11/h6-7H,3-5H2,1-2H3/t6-,7-,9+,10+/m1/s1
InChIKeyXCGGIKYRQGWLER-XFFJFQIUSA-N
MW182.22 g/mol
LogP1.12
Rot. Bonds

About (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

(1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 11876871) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name(1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID11876871
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESC[C@]12C(=O)OC[C@@H]1[C@]1(C)CC[C@H]2O1
InChIInChI=1S/C10H14O3/c1-9-4-3-7(13-9)10(2)6(9)5-12-8(10)11/h6-7H,3-5H2,1-2H3/t6-,7-,9+,10+/m1/s1
InChIKeyXCGGIKYRQGWLER-XFFJFQIUSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (CID 11876871) is (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is C[C@]12C(=O)OC[C@@H]1[C@]1(C)CC[C@H]2O1.
What is the InChIKey of (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is XCGGIKYRQGWLER-XFFJFQIUSA-N. The full InChI is InChI=1S/C10H14O3/c1-9-4-3-7(13-9)10(2)6(9)5-12-8(10)11/h6-7H,3-5H2,1-2H3/t6-,7-,9+,10+/m1/s1.
What are the key properties of (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
(1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 11876871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).