(1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol

C25H52O3Si2 — CID 156903636

IUPAC(1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O3Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-22(13)24(26)14-25(23)28-30(19(7)8,20(9)10)21(11)12/h16-21,23-26H,13-15H2,1-12H3/t23-,24+,25-/m0/s1
InChIKeyAXZVFPXSJXUSDW-GVAUOCQISA-N
MW456.86 g/mol
LogP7.68
Rot. Bonds11

About (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol

(1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol (PubChem CID 156903636) has the molecular formula C25H52O3Si2 and a molecular weight of 456.86 g/mol. Its IUPAC name is (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol
PubChem CID156903636
Molecular FormulaC25H52O3Si2
Molecular Weight456.86 g/mol
Exact Mass456.35
IUPAC Name(1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O3Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-22(13)24(26)14-25(23)28-30(19(7)8,20(9)10)21(11)12/h16-21,23-26H,13-15H2,1-12H3/t23-,24+,25-/m0/s1
InChIKeyAXZVFPXSJXUSDW-GVAUOCQISA-N
XLogP7.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R,4S)-4-((tert-Butyldimethylsilyl)oxy)-3-(((tert-butyldimethylsilyl)oxy)methyl)-2-methylenecyclopentanol
CID 56651232
(-)-(6aR,8S,9R,9aR)-9-Fluoro-2,2,4,4-tetraisopropyl-7-methylenehexahydrocyclopenta[f]-[1,3,5,2,4]trioxadisilocin-8-ol
CID 102334878
(-)-(6aR,8R,9R,9aR)-9-Fluoro-2,2,4,4-tetraisopropyl-7-methylenehexahydrocyclopenta[f]-[1,3,5,2,4]trioxadisilocin-8-ol
CID 131735544
(6aR,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 140714179
(6aR,8R,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 140714181
(1R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 156903617
(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 156903643
(6aR,8S,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 157631125
trans-(1R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 173866425
(1R,2R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 72793137
(1R,3S,4R)-2-ethenyl-4-methyl-3-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 135042389
4-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
CID 22177670

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol?
The IUPAC name of (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol (CID 156903636) is (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol.
What is the SMILES notation for (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol?
The canonical SMILES for (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol is C=C1[C@H](O)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol?
The InChIKey is AXZVFPXSJXUSDW-GVAUOCQISA-N. The full InChI is InChI=1S/C25H52O3Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-22(13)24(26)14-25(23)28-30(19(7)8,20(9)10)21(11)12/h16-21,23-26H,13-15H2,1-12H3/t23-,24+,25-/m0/s1.
What are the key properties of (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol?
(1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol has a molecular weight of 456.86 g/mol, XLogP of 7.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-2-methylidene-4-tri(propan-2-yl)silyloxy-3-[tri(propan-2-yl)silyloxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 156903636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).