(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione

C12H14O2 — CID 97047562

IUPAC(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
SMILESO=C1[C@H]2CC[C@H]3C(=O)[C@@H]4CC[C@@H]1C4C23
InChIInChI=1S/C12H14O2/c13-11-5-1-2-6-9(5)10-7(11)3-4-8(10)12(6)14/h5-10H,1-4H2/t5-,6-,7-,8+,9?,10?/m1/s1
InChIKeyLOBDTEAMNCFGCJ-RMJMHHOKSA-N
MW190.24 g/mol
LogP1.44
Rot. Bonds

About (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione

(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione (PubChem CID 97047562) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione.

Molecular Properties

Compound Name(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
PubChem CID97047562
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
SMILESO=C1[C@H]2CC[C@H]3C(=O)[C@@H]4CC[C@@H]1C4C23
InChIInChI=1S/C12H14O2/c13-11-5-1-2-6-9(5)10-7(11)3-4-8(10)12(6)14/h5-10H,1-4H2/t5-,6-,7-,8+,9?,10?/m1/s1
InChIKeyLOBDTEAMNCFGCJ-RMJMHHOKSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
The IUPAC name of (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione (CID 97047562) is (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione.
What is the SMILES notation for (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
The canonical SMILES for (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione is O=C1[C@H]2CC[C@H]3C(=O)[C@@H]4CC[C@@H]1C4C23.
What is the InChIKey of (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
The InChIKey is LOBDTEAMNCFGCJ-RMJMHHOKSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-5-1-2-6-9(5)10-7(11)3-4-8(10)12(6)14/h5-10H,1-4H2/t5-,6-,7-,8+,9?,10?/m1/s1.
What are the key properties of (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione?
(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione has a molecular weight of 190.24 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione is sourced from PubChem (CID 97047562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).