(2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one

C18H32O4Si — CID 134971088

IUPAC(2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one
SMILESCC1(C)OC2C(=O)C[C@@]3(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C18H32O4Si/c1-16(2,3)23(6,7)22-13-9-8-10-18(13)11-12(19)14-15(18)21-17(4,5)20-14/h13-15H,8-11H2,1-7H3/t13-,14?,15?,18+/m0/s1
InChIKeyKRGRTSIQJCMHQO-FAYHIZQSSA-N
MW340.54 g/mol
LogP4.04
Rot. Bonds2

About (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one

(2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one (PubChem CID 134971088) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one.

Molecular Properties

Compound Name(2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one
PubChem CID134971088
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name(2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one
SMILESCC1(C)OC2C(=O)C[C@@]3(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C18H32O4Si/c1-16(2,3)23(6,7)22-13-9-8-10-18(13)11-12(19)14-15(18)21-17(4,5)20-14/h13-15H,8-11H2,1-7H3/t13-,14?,15?,18+/m0/s1
InChIKeyKRGRTSIQJCMHQO-FAYHIZQSSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one with MolForge

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Related Compounds

(3aR,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,3'-cyclobutane]-1'-one
CID 142602575
(3aR,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,3'-cyclobutane]-1'-one
CID 155643129
(2'S,3aS,4S,6aR)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[3a,6a-dihydrofuro[3,4-d][1,3]dioxole-4,1'-cyclopentane]-6-one
CID 11186941
(3aR,6S,6aR)-6-[(1S)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
CID 126970212
(3aR,6S,6aR)-6-{2-[(tert-butyldimethylsilyl)oxy]propan-2-yl}-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
CID 126970217
(3aR,6S,6aR)-6-[(1R)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
CID 126970218
6-[1-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 156758040
6-[2-[Tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 156758041
(3aR,6S,6aR)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 177586272

Frequently Asked Questions

What is the IUPAC name of (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one?
The IUPAC name of (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one (CID 134971088) is (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one.
What is the SMILES notation for (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one?
The canonical SMILES for (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one is CC1(C)OC2C(=O)C[C@@]3(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)C2O1.
What is the InChIKey of (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one?
The InChIKey is KRGRTSIQJCMHQO-FAYHIZQSSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-16(2,3)23(6,7)22-13-9-8-10-18(13)11-12(19)14-15(18)21-17(4,5)20-14/h13-15H,8-11H2,1-7H3/t13-,14?,15?,18+/m0/s1.
What are the key properties of (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one?
(2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one has a molecular weight of 340.54 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,4S)-2'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylspiro[5,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4,1'-cyclopentane]-6-one is sourced from PubChem (CID 134971088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).