(1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one

C16H22O3 — CID 11277018

IUPAC(1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one
SMILESC[C@H]1C(=O)C=C2C(C)(C)[C@H]3C[C@]21CCC31OCCO1
InChIInChI=1S/C16H22O3/c1-10-11(17)8-12-14(2,3)13-9-15(10,12)4-5-16(13)18-6-7-19-16/h8,10,13H,4-7,9H2,1-3H3/t10-,13+,15-/m0/s1
InChIKeyJVVCGPOEJDFYLM-ZBINZKHDSA-N
MW262.35 g/mol
LogP2.70
Rot. Bonds

About (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one

(1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one (PubChem CID 11277018) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one.

Molecular Properties

Compound Name(1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one
PubChem CID11277018
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one
SMILESC[C@H]1C(=O)C=C2C(C)(C)[C@H]3C[C@]21CCC31OCCO1
InChIInChI=1S/C16H22O3/c1-10-11(17)8-12-14(2,3)13-9-15(10,12)4-5-16(13)18-6-7-19-16/h8,10,13H,4-7,9H2,1-3H3/t10-,13+,15-/m0/s1
InChIKeyJVVCGPOEJDFYLM-ZBINZKHDSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one with MolForge

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

Launch Full Analysis

Related Compounds

(1'S,6'S)-spiro[1,3-dioxolane-2,9'-tricyclo[6.3.1.01,6]dodec-3-ene]-2'-one
CID 9991624
(3'R,3'aR,5'aS,10'aS)-3'a,5'a-dimethyl-3'-propan-2-ylspiro[1,3-dioxolane-2,1'-2,3,4,5,6,7,8,10a-octahydrobenzo[f]azulene]-10'-one
CID 53348457
(1'S,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one
CID 134831101
(1'S,2'R,10'R)-2',6'-dimethylspiro[1,3-dioxolane-2,13'-tetracyclo[10.3.1.01,10.02,7]hexadec-6-ene]-8'-one
CID 135025108
(2aS,6S,7aS,7bS)-5,5,7b-trimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-1,2,2a,6,7,7a-hexahydrocyclobuta[e]inden-3-one
CID 154720141
(1'S,2'S,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one
CID 11207737
(3R,5S,6R)-6,10-dimethyl-3-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]spiro[4.5]dec-9-en-8-one
CID 162844429
(2S,3aR)-2,3a,6-trimethylspiro[1,2,4,6,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-7,2'-1,3-dioxolane]-3-one
CID 13084361
(3aR)-3a,6-dimethylspiro[1,2,4,6,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-7,2'-1,3-dioxolane]-3-one
CID 54294064
(2R,3aR)-2,3a,6-trimethylspiro[1,2,4,6,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-7,2'-1,3-dioxolane]-3-one
CID 67897546
CID 132029713
CID 132029713
(8'S,10'S,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene]-3'-one
CID 134452655

Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one?
The IUPAC name of (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one (CID 11277018) is (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one.
What is the SMILES notation for (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one?
The canonical SMILES for (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one is C[C@H]1C(=O)C=C2C(C)(C)[C@H]3C[C@]21CCC31OCCO1.
What is the InChIKey of (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one?
The InChIKey is JVVCGPOEJDFYLM-ZBINZKHDSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-11(17)8-12-14(2,3)13-9-15(10,12)4-5-16(13)18-6-7-19-16/h8,10,13H,4-7,9H2,1-3H3/t10-,13+,15-/m0/s1.
What are the key properties of (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one?
(1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one has a molecular weight of 262.35 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,7'R)-2',6',6'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.01,5]undec-4-ene]-3'-one is sourced from PubChem (CID 11277018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).