[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol

C13H26O2Si — CID 66524754

IUPAC[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO
InChIInChI=1S/C13H26O2Si/c1-10-7-8-12(11(10)9-14)15-16(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3/t11-,12-/m0/s1
InChIKeyITUXAXMVTLWJRH-RYUDHWBXSA-N
MW242.43 g/mol
LogP3.34
Rot. Bonds3

About [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol

[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol (PubChem CID 66524754) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol
PubChem CID66524754
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol
SMILESC=C1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO
InChIInChI=1S/C13H26O2Si/c1-10-7-8-12(11(10)9-14)15-16(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3/t11-,12-/m0/s1
InChIKeyITUXAXMVTLWJRH-RYUDHWBXSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.34
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'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol?
The IUPAC name of [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol (CID 66524754) is [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol?
The canonical SMILES for [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol is C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol?
The InChIKey is ITUXAXMVTLWJRH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-10-7-8-12(11(10)9-14)15-16(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3/t11-,12-/m0/s1.
What are the key properties of [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol?
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol has a molecular weight of 242.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylidenecyclopentyl]methanol is sourced from PubChem (CID 66524754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).