(1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol

C17H32O2Si2 — CID 11209552

IUPAC(1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C1[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C17H32O2Si2/c1-17(2,3)21(7,8)19-16-11-9-10-14(16)15(18)12-13-20(4,5)6/h10,15-16,18H,9,11H2,1-8H3/t15-,16+/m0/s1
InChIKeyGBVJQAPSPIQEIS-JKSUJKDBSA-N
MW324.61 g/mol
LogP4.34
Rot. Bonds3

About (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol

(1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 11209552) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID11209552
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name(1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C1[C@@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C17H32O2Si2/c1-17(2,3)21(7,8)19-16-11-9-10-14(16)15(18)12-13-20(4,5)6/h10,15-16,18H,9,11H2,1-8H3/t15-,16+/m0/s1
InChIKeyGBVJQAPSPIQEIS-JKSUJKDBSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
CID 11359645
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
(1s,2r)-2-(t-Butyldimethylsilyl)-1-[2-(3-methyl-3-buten-1-ynyl)-1-cyclopentenyl]-4-(trimethylsilyl)-3-butyn-1-ol
CID 101997623
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
CID 122380458
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881
[6-[Tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]methanol
CID 134965784
(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylnon-2-en-1-ol
CID 135007562

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol (CID 11209552) is (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CCC=C1[C@@H](O)C#C[Si](C)(C)C.
What is the InChIKey of (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is GBVJQAPSPIQEIS-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-17(2,3)21(7,8)19-16-11-9-10-14(16)15(18)12-13-20(4,5)6/h10,15-16,18H,9,11H2,1-8H3/t15-,16+/m0/s1.
What are the key properties of (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol?
(1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 324.61 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5R)-5-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 11209552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).