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

C20H28O — CID 124785181

IUPAC(1R,1'R,2R,4S,4'S,7S,7'R,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-PAFCWXAXSA-N
MW284.44 g/mol
LogP4.45
Rot. Bonds

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

(1R,1'R,2R,4S,4'S,7S,7'R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one (PubChem CID 124785181) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is (1R,1'R,2R,4S,4'S,7S,7'R,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(1R,1'R,2R,4S,4'S,7S,7'R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
PubChem CID124785181
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name(1R,1'R,2R,4S,4'S,7S,7'R,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-PAFCWXAXSA-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 (1R,1'R,2R,4S,4'S,7S,7'R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one with MolForge

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Related Compounds

(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
(2R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one
CID 90482458
3,3-dichlorobicyclo[2.2.0]hexan-2-one
CID 12856941
(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol
CID 124806712
(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
CID 95565105
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498
CID 95564865
CID 95564865
(1'R,4'R,7'R,10'S)-5,5-dimethylspiro[1,3-dioxane-2,5'-tricyclo[5.2.1.04,10]decane]-2'-one
CID 10586778
(1R,3S)-2-(nitromethylidene)tricyclo[4.2.1.03,9]nonane
CID 130176307
(1R,4R,6S,9R)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 97047562
(1S,4S,6R,9S)-tetracyclo[7.2.1.04,11.06,10]dodecane-5,12-dione
CID 124527531
spiro[oxolane-3,4'-tetracyclo[6.2.1.13,6.02,7]dodecane]-2,5-dione;tetramethylsilane
CID 90710044

Frequently Asked Questions

What is the IUPAC name of (1R,1'R,2R,4S,4'S,7S,7'R,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 (1R,1'R,2R,4S,4'S,7S,7'R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one (CID 124785181) is (1R,1'R,2R,4S,4'S,7S,7'R,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 (1R,1'R,2R,4S,4'S,7S,7'R,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 (1R,1'R,2R,4S,4'S,7S,7'R,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 (1R,1'R,2R,4S,4'S,7S,7'R,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-PAFCWXAXSA-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 (1R,1'R,2R,4S,4'S,7S,7'R,10R,11'S)-spiro[tricyclo[5.2.1.04,10]decane-2,9'-tricyclo[5.3.1.04,11]undecane]-8'-one?
(1R,1'R,2R,4S,4'S,7S,7'R,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 (1R,1'R,2R,4S,4'S,7S,7'R,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 124785181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).