[(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane

C27H36O4Si — CID 164935034

IUPAC[(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane
SMILESCC[C@@H]1C[C@]12O[C@@H]1OC(C)(C)OC1[C@@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O4Si/c1-7-19-18-27(19)23(22-24(30-27)29-26(5,6)28-22)31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22-24H,7,18H2,1-6H3/t19-,22?,23+,24+,27+/m1/s1
InChIKeyOPMVKFDBGGFJCE-FNSYDFSCSA-N
MW452.67 g/mol
LogP4.61
Rot. Bonds5

About [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane

[(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 164935034) has the molecular formula C27H36O4Si and a molecular weight of 452.67 g/mol. Its IUPAC name is [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane
PubChem CID164935034
Molecular FormulaC27H36O4Si
Molecular Weight452.67 g/mol
Exact Mass452.24
IUPAC Name[(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane
SMILESCC[C@@H]1C[C@]12O[C@@H]1OC(C)(C)OC1[C@@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O4Si/c1-7-19-18-27(19)23(22-24(30-27)29-26(5,6)28-22)31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22-24H,7,18H2,1-6H3/t19-,22?,23+,24+,27+/m1/s1
InChIKeyOPMVKFDBGGFJCE-FNSYDFSCSA-N
XLogP4.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.67
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2'S,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane
CID 164935048
(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane];(2'R,3aR,5S,6aS)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-ol;methane
CID 167544621
(3aR,5R,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-2',2'-dichloro-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one
CID 167678407
(3aR,5S,6R,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11224080
[(3aR,5R,6S,6aR)-2,2,5-trimethyl-6-(naphthalen-2-ylmethoxy)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 140673781
(3aS,4R,6S,6aS)-4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 102191385
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(2-methylprop-2-enyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483252
(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 59751308
(3aR,5S,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772714
(3aR,4R,5S,7aR)-4-[tert-butyl(diphenyl)silyl]oxy-6-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-ol
CID 10886143

Frequently Asked Questions

What is the IUPAC name of [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane (CID 164935034) is [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane is CC[C@@H]1C[C@]12O[C@@H]1OC(C)(C)OC1[C@@H]2O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is OPMVKFDBGGFJCE-FNSYDFSCSA-N. The full InChI is InChI=1S/C27H36O4Si/c1-7-19-18-27(19)23(22-24(30-27)29-26(5,6)28-22)31-32(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22-24H,7,18H2,1-6H3/t19-,22?,23+,24+,27+/m1/s1.
What are the key properties of [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane?
[(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 452.67 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2'R,3aR,5S,6S)-2'-ethyl-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,1'-cyclopropane]-6-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 164935034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).