(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol

C13H26O3Si — CID 135040437

IUPAC(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
SMILESCC1=C(CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C13H26O3Si/c1-9-10(8-14)7-11(12(9)15)16-17(5,6)13(2,3)4/h11-12,14-15H,7-8H2,1-6H3/t11-,12-/m1/s1
InChIKeyYBCNSFIJUSZAOS-VXGBXAGGSA-N
MW258.43 g/mol
LogP2.45
Rot. Bonds3

About (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol

(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol (PubChem CID 135040437) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
PubChem CID135040437
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
SMILESCC1=C(CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C13H26O3Si/c1-9-10(8-14)7-11(12(9)15)16-17(5,6)13(2,3)4/h11-12,14-15H,7-8H2,1-6H3/t11-,12-/m1/s1
InChIKeyYBCNSFIJUSZAOS-VXGBXAGGSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
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

trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,4-diol
CID 11761328
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one;3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one;tetramethylsilane
CID 91070116
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
[(3aR,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 135026574

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
The IUPAC name of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol (CID 135040437) is (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol is CC1=C(CO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
The InChIKey is YBCNSFIJUSZAOS-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-10(8-14)7-11(12(9)15)16-17(5,6)13(2,3)4/h11-12,14-15H,7-8H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol has a molecular weight of 258.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 135040437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).