(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one

C20H28O — CID 95564885

IUPAC(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
SMILESO=C1[C@H]2CC[C@@H]3CC[C@H](C[C@@]14C[C@H]1CC[C@H]5CC[C@H]4[C@H]51)[C@H]32
InChIInChI=1S/C20H28O/c21-19-15-7-5-11-1-3-13(17(11)15)9-20(19)10-14-4-2-12-6-8-16(20)18(12)14/h11-18H,1-10H2/t11-,12-,13+,14+,15-,16-,17-,18+,20-/m0/s1
InChIKeyLVWAEJTZJODBRA-APWVSZRDSA-N
MW284.44 g/mol
LogP4.45
Rot. Bonds

About (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one

(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one (PubChem CID 95564885) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one.

Molecular Properties

Compound Name(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
PubChem CID95564885
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
SMILESO=C1[C@H]2CC[C@@H]3CC[C@H](C[C@@]14C[C@H]1CC[C@H]5CC[C@H]4[C@H]51)[C@H]32
InChIInChI=1S/C20H28O/c21-19-15-7-5-11-1-3-13(17(11)15)9-20(19)10-14-4-2-12-6-8-16(20)18(12)14/h11-18H,1-10H2/t11-,12-,13+,14+,15-,16-,17-,18+,20-/m0/s1
InChIKeyLVWAEJTZJODBRA-APWVSZRDSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one?
The IUPAC name of (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one (CID 95564885) is (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one.
What is the SMILES notation for (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one?
The canonical SMILES for (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one is O=C1[C@H]2CC[C@@H]3CC[C@H](C[C@@]14C[C@H]1CC[C@H]5CC[C@H]4[C@H]51)[C@H]32.
What is the InChIKey of (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one?
The InChIKey is LVWAEJTZJODBRA-APWVSZRDSA-N. The full InChI is InChI=1S/C20H28O/c21-19-15-7-5-11-1-3-13(17(11)15)9-20(19)10-14-4-2-12-6-8-16(20)18(12)14/h11-18H,1-10H2/t11-,12-,13+,14+,15-,16-,17-,18+,20-/m0/s1.
What are the key properties of (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one?
(1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one has a molecular weight of 284.44 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,1'R,2R,4R,4'S,7S,7'S,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one is sourced from PubChem (CID 95564885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).