[(1'R,2'S,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'-yl]methanol

C17H32O4Si — CID 11023956

IUPAC[(1'R,2'S,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'-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC3(C[C@H]2[C@@H]1CO)OCCO3
InChIInChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-15-8-12-9-17(19-6-7-20-17)10-13(12)14(15)11-18/h12-15,18H,6-11H2,1-5H3/t12-,13+,14-,15-/m0/s1
InChIKeyADRWUKNDQZKRCK-XGUBFFRZSA-N
MW328.53 g/mol
LogP3.16
Rot. Bonds3

About [(1'R,2'S,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'-yl]methanol

[(1'R,2'S,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'-yl]methanol (PubChem CID 11023956) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [(1'R,2'S,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'-yl]methanol.

Molecular Properties

Compound Name[(1'R,2'S,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'-yl]methanol
PubChem CID11023956
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name[(1'R,2'S,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'-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC3(C[C@H]2[C@@H]1CO)OCCO3
InChIInChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-15-8-12-9-17(19-6-7-20-17)10-13(12)14(15)11-18/h12-15,18H,6-11H2,1-5H3/t12-,13+,14-,15-/m0/s1
InChIKeyADRWUKNDQZKRCK-XGUBFFRZSA-N
XLogP3.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1'R,2'S,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'-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1'R,2'S,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'-yl]methanol?
The IUPAC name of [(1'R,2'S,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'-yl]methanol (CID 11023956) is [(1'R,2'S,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'-yl]methanol.
What is the SMILES notation for [(1'R,2'S,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'-yl]methanol?
The canonical SMILES for [(1'R,2'S,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'-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2CC3(C[C@H]2[C@@H]1CO)OCCO3.
What is the InChIKey of [(1'R,2'S,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'-yl]methanol?
The InChIKey is ADRWUKNDQZKRCK-XGUBFFRZSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-16(2,3)22(4,5)21-15-8-12-9-17(19-6-7-20-17)10-13(12)14(15)11-18/h12-15,18H,6-11H2,1-5H3/t12-,13+,14-,15-/m0/s1.
What are the key properties of [(1'R,2'S,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'-yl]methanol?
[(1'R,2'S,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'-yl]methanol has a molecular weight of 328.53 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'R,2'S,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'-yl]methanol is sourced from PubChem (CID 11023956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).