(1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one

C20H34O4Si — CID 10948557

IUPAC(1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CCC4(OCCO4)[C@@H]2C(=O)C[C@@]13C
InChIInChI=1S/C20H34O4Si/c1-17(2,3)25(5,6)24-15-7-8-19-9-10-20(22-11-12-23-20)16(19)14(21)13-18(15,19)4/h15-16H,7-13H2,1-6H3/t15-,16+,18-,19+/m0/s1
InChIKeyFRSUPHCARJUYJW-OGWHTMIXSA-N
MW366.57 g/mol
LogP4.29
Rot. Bonds2

About (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one

(1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one (PubChem CID 10948557) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one.

Molecular Properties

Compound Name(1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one
PubChem CID10948557
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CCC4(OCCO4)[C@@H]2C(=O)C[C@@]13C
InChIInChI=1S/C20H34O4Si/c1-17(2,3)25(5,6)24-15-7-8-19-9-10-20(22-11-12-23-20)16(19)14(21)13-18(15,19)4/h15-16H,7-13H2,1-6H3/t15-,16+,18-,19+/m0/s1
InChIKeyFRSUPHCARJUYJW-OGWHTMIXSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one with MolForge

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Related Compounds

Tricyclo[6.3.0.0(1,5)]undecan-10-one, 4-[(2-methoxyethoxy)methoxy]-5,9-dimethyl-7-trimethylsilyl-
CID 560610
(3S,3aR,9aS)-3-[tert-butyl(dimethyl)silyl]oxy-9a-methylspiro[1,2,3,3a,4,6,7,8-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]-5-one
CID 15309935
(1R,3aR,9aS)-1-[tert-butyl(dimethyl)silyl]oxy-6-deuterio-3a-methylspiro[1,2,3,5,6,7,9,9a-octahydrocyclopenta[8]annulene-4,2'-1,3-dioxolane]-8-one
CID 102240433
(1'R,2'R,3'aS,6'aR)-2'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-carbaldehyde
CID 13187489
1-[(1'R,2'R,3'aR,6'aS)-2'-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl]ethanone
CID 58025245
(1S,5R,8R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-(2-hydroxyethoxy)-8-methyltricyclo[6.3.0.01,5]undecan-6-one
CID 11728333
(3R,3aS,9aR)-3-[tert-butyl(dimethyl)silyl]oxy-9a-methylspiro[1,2,3,3a,4,6,7,8-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]-5-one
CID 102240431

Frequently Asked Questions

What is the IUPAC name of (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one?
The IUPAC name of (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one (CID 10948557) is (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one.
What is the SMILES notation for (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one?
The canonical SMILES for (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]23CCC4(OCCO4)[C@@H]2C(=O)C[C@@]13C.
What is the InChIKey of (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one?
The InChIKey is FRSUPHCARJUYJW-OGWHTMIXSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-17(2,3)25(5,6)24-15-7-8-19-9-10-20(22-11-12-23-20)16(19)14(21)13-18(15,19)4/h15-16H,7-13H2,1-6H3/t15-,16+,18-,19+/m0/s1.
What are the key properties of (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one?
(1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one has a molecular weight of 366.57 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one is sourced from PubChem (CID 10948557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).