(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol

C25H42O5Si — CID 71172324

IUPAC(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1C(C2CCC3=CC4(CCC3=C2CO)OCCO4)CC[C@@H]1O
InChIInChI=1S/C25H42O5Si/c1-24(2,3)31(4,5)30-16-22-20(8-9-23(22)27)19-7-6-17-14-25(28-12-13-29-25)11-10-18(17)21(19)15-26/h14,19-20,22-23,26-27H,6-13,15-16H2,1-5H3/t19?,20?,22?,23-/m0/s1
InChIKeyOVOOYMAMXVIYQZ-XJBJGSKASA-N
MW450.69 g/mol
LogP4.56
Rot. Bonds5

About (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol

(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol (PubChem CID 71172324) has the molecular formula C25H42O5Si and a molecular weight of 450.69 g/mol. Its IUPAC name is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol
PubChem CID71172324
Molecular FormulaC25H42O5Si
Molecular Weight450.69 g/mol
Exact Mass450.28
IUPAC Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1C(C2CCC3=CC4(CCC3=C2CO)OCCO4)CC[C@@H]1O
InChIInChI=1S/C25H42O5Si/c1-24(2,3)31(4,5)30-16-22-20(8-9-23(22)27)19-7-6-17-14-25(28-12-13-29-25)11-10-18(17)21(19)15-26/h14,19-20,22-23,26-27H,6-13,15-16H2,1-5H3/t19?,20?,22?,23-/m0/s1
InChIKeyOVOOYMAMXVIYQZ-XJBJGSKASA-N
XLogP4.56
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.69
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol with MolForge

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Related Compounds

(1r,3r,7r,8z,10s,11z,13s,14r)-11-({[t-Butyl-(dimethyl)silyl]oxy}methyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129751751
(1r,3s,7s,8z,10s,11z,13s,14r)-11-(t-Butyldimethylsilyloxymethyl)-5,5,7,14-tetramethyl-4,6-dioxatricyclo[11,4,0,0 3,7]heptadeca-8,11,15-trien-10-ol
CID 129757626
cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol
CID 58952628
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol
CID 58952642
2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol
CID 70837965
(1R,3aS,4R,9S,10bS)-9-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-1-propan-2-ylspiro[1,2,3,4,7,8,9,10b-octahydrocyclohepta[e]indene-6,2'-1,3-dioxolane]-4-ol
CID 10026697
[(3aR,5S,6R,8aR,9R,9aS)-5-[tert-butyl(dimethyl)silyl]oxy-2,2,6,8a-tetramethyl-9-propan-2-yl-3a,5,7,8,9,9a-hexahydroazuleno[1,2-d][1,3]dioxol-6-yl]methanol
CID 11662117
(3'R,3'aR,5'aR,8'S)-9'-(hydroxymethyl)-3'a,5'a-dimethyl-3'-propan-2-ylspiro[1,3-dioxolane-2,1'-3,4,5,6,7,8-hexahydro-2H-benzo[f]azulene]-8'-ol
CID 46915614

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol?
The IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol (CID 71172324) is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol.
What is the SMILES notation for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol?
The canonical SMILES for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol is CC(C)(C)[Si](C)(C)OCC1C(C2CCC3=CC4(CCC3=C2CO)OCCO4)CC[C@@H]1O.
What is the InChIKey of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol?
The InChIKey is OVOOYMAMXVIYQZ-XJBJGSKASA-N. The full InChI is InChI=1S/C25H42O5Si/c1-24(2,3)31(4,5)30-16-22-20(8-9-23(22)27)19-7-6-17-14-25(28-12-13-29-25)11-10-18(17)21(19)15-26/h14,19-20,22-23,26-27H,6-13,15-16H2,1-5H3/t19?,20?,22?,23-/m0/s1.
What are the key properties of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol?
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol has a molecular weight of 450.69 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]cyclopentan-1-ol is sourced from PubChem (CID 71172324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).