(1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

C15H20O3 — CID 10824452

IUPAC(1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESCC1=C(C)[C@H]2[C@@H]3C4(CC[C@]3(C)[C@H]2C1=O)OCCO4
InChIInChI=1S/C15H20O3/c1-8-9(2)12(16)11-10(8)13-14(11,3)4-5-15(13)17-6-7-18-15/h10-11,13H,4-7H2,1-3H3/t10-,11-,13+,14-/m1/s1
InChIKeyJIJJAUKQTSDEGM-MHDGFBEUSA-N
MW248.32 g/mol
LogP2.31
Rot. Bonds

About (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one

(1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (PubChem CID 10824452) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.

Molecular Properties

Compound Name(1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
PubChem CID10824452
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
SMILESCC1=C(C)[C@H]2[C@@H]3C4(CC[C@]3(C)[C@H]2C1=O)OCCO4
InChIInChI=1S/C15H20O3/c1-8-9(2)12(16)11-10(8)13-14(11,3)4-5-15(13)17-6-7-18-15/h10-11,13H,4-7H2,1-3H3/t10-,11-,13+,14-/m1/s1
InChIKeyJIJJAUKQTSDEGM-MHDGFBEUSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one with MolForge

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Related Compounds

(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
1,7a-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2,3,6,7-tetrahydro-1H-inden-5-one
CID 91489732
(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
(1'S,2'R,6'S,7'R)-5',7'-dimethyl-4'-trimethylsilylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10828507
(1'S,2'R,6'S,7'R)-7'-methyl-4'-propylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 10849079
(1'S,2'R,6'S,7'R)-6'-methylspiro[1,3-dioxolane-2,10'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one
CID 14378379

Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The IUPAC name of (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one (CID 10824452) is (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one.
What is the SMILES notation for (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The canonical SMILES for (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is CC1=C(C)[C@H]2[C@@H]3C4(CC[C@]3(C)[C@H]2C1=O)OCCO4.
What is the InChIKey of (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
The InChIKey is JIJJAUKQTSDEGM-MHDGFBEUSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-9(2)12(16)11-10(8)13-14(11,3)4-5-15(13)17-6-7-18-15/h10-11,13H,4-7H2,1-3H3/t10-,11-,13+,14-/m1/s1.
What are the key properties of (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one?
(1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one has a molecular weight of 248.32 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,6'R,7'S)-1',4',5'-trimethylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.0.02,6]dec-4-ene]-3'-one is sourced from PubChem (CID 10824452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).