(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

C12H14O3 — CID 10560199

IUPAC(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESO=C1C=C[C@@H]2[C@H]3CCC4(OCCO4)[C@H]3[C@H]12
InChIInChI=1S/C12H14O3/c13-9-2-1-7-8-3-4-12(11(8)10(7)9)14-5-6-15-12/h1-2,7-8,10-11H,3-6H2/t7-,8-,10+,11-/m1/s1
InChIKeyGUUMFUKVJDYWOS-DEKFOEGESA-N
MW206.24 g/mol
LogP1.14
Rot. Bonds

About (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (PubChem CID 10560199) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.

Molecular Properties

Compound Name(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
PubChem CID10560199
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESO=C1C=C[C@@H]2[C@H]3CCC4(OCCO4)[C@H]3[C@H]12
InChIInChI=1S/C12H14O3/c13-9-2-1-7-8-3-4-12(11(8)10(7)9)14-5-6-15-12/h1-2,7-8,10-11H,3-6H2/t7-,8-,10+,11-/m1/s1
InChIKeyGUUMFUKVJDYWOS-DEKFOEGESA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-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

(3'aR,6'S,6'aR)-6'-but-3-enylspiro[1,3-dioxolane-2,4'-3a,5,6,6a-tetrahydropentalene]-1'-one
CID 90681904
(3'aR,6'aR)-spiro[1,3-dioxolane-2,4'-3a,5,6,6a-tetrahydropentalene]-1'-one
CID 11389748
(1'R,2'S,6'R,7'S)-1'-methylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10727636
1-[(3'aR,6'aS)-spiro[1,3-dioxolane-2,6'-3a,4,5,6a-tetrahydro-1H-pentalene]-2'-yl]but-3-en-1-one
CID 135011864
(1'R,2'R,6'R,7'R)-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10516747
(1'R,2'R,6'R,7'R)-4'-trimethylsilylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10588689
(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10608343
(1'R,2'S,6'R,7'S)-4'-tert-butyl-1'-methylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10612515
(1'S,2'R,6'S,7'R)-4',5',7'-trimethylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10634291
(1'S,2'R,6'S,7'R)-4'-tert-butyl-7'-methylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10636199
(1'R,2'S,6'R,7'S)-1'-methyl-4'-propylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10682920
(1'S,2'R,6'R,7'R)-7'-methyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10780015

Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The IUPAC name of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (CID 10560199) is (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.
What is the SMILES notation for (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The canonical SMILES for (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is O=C1C=C[C@@H]2[C@H]3CCC4(OCCO4)[C@H]3[C@H]12.
What is the InChIKey of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The InChIKey is GUUMFUKVJDYWOS-DEKFOEGESA-N. The full InChI is InChI=1S/C12H14O3/c13-9-2-1-7-8-3-4-12(11(8)10(7)9)14-5-6-15-12/h1-2,7-8,10-11H,3-6H2/t7-,8-,10+,11-/m1/s1.
What are the key properties of (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
(1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one has a molecular weight of 206.24 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,6'R,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is sourced from PubChem (CID 10560199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).