[(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol

C15H28O2Si — CID 122219251

IUPAC[(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol
SMILESCC#C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C15H28O2Si/c1-7-8-12-9-14(10-13(12)11-16)17-18(5,6)15(2,3)4/h12-14,16H,9-11H2,1-6H3/t12-,13-,14+/m1/s1
InChIKeyCOUUGUNTLBOUGN-MCIONIFRSA-N
MW268.47 g/mol
LogP3.42
Rot. Bonds3

About [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol

[(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol (PubChem CID 122219251) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol
PubChem CID122219251
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name[(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol
SMILESCC#C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C15H28O2Si/c1-7-8-12-9-14(10-13(12)11-16)17-18(5,6)15(2,3)4/h12-14,16H,9-11H2,1-6H3/t12-,13-,14+/m1/s1
InChIKeyCOUUGUNTLBOUGN-MCIONIFRSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol?
The IUPAC name of [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol (CID 122219251) is [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol?
The canonical SMILES for [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol is CC#C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO.
What is the InChIKey of [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol?
The InChIKey is COUUGUNTLBOUGN-MCIONIFRSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-8-12-9-14(10-13(12)11-16)17-18(5,6)15(2,3)4/h12-14,16H,9-11H2,1-6H3/t12-,13-,14+/m1/s1.
What are the key properties of [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol?
[(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol has a molecular weight of 268.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-ynylcyclopentyl]methanol is sourced from PubChem (CID 122219251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).