(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol

C14H23BrO2Si — CID 15109376

IUPAC(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C14H23BrO2Si/c1-7-8-14(16)10-11(9-12(14)15)17-18(5,6)13(2,3)4/h1,9,11,16H,8,10H2,2-6H3/t11-,14?/m1/s1
InChIKeyVGUFUBBVWDBXSQ-YNODCEANSA-N
MW331.33 g/mol
LogP3.81
Rot. Bonds3

About (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol

(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol (PubChem CID 15109376) has the molecular formula C14H23BrO2Si and a molecular weight of 331.33 g/mol. Its IUPAC name is (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol
PubChem CID15109376
Molecular FormulaC14H23BrO2Si
Molecular Weight331.33 g/mol
Exact Mass330.07
IUPAC Name(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol
SMILESC#CCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C14H23BrO2Si/c1-7-8-14(16)10-11(9-12(14)15)17-18(5,6)13(2,3)4/h1,9,11,16H,8,10H2,2-6H3/t11-,14?/m1/s1
InChIKeyVGUFUBBVWDBXSQ-YNODCEANSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.81
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 (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol?
The IUPAC name of (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol (CID 15109376) is (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol.
What is the SMILES notation for (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol?
The canonical SMILES for (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol is C#CCC1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1Br.
What is the InChIKey of (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol?
The InChIKey is VGUFUBBVWDBXSQ-YNODCEANSA-N. The full InChI is InChI=1S/C14H23BrO2Si/c1-7-8-14(16)10-11(9-12(14)15)17-18(5,6)13(2,3)4/h1,9,11,16H,8,10H2,2-6H3/t11-,14?/m1/s1.
What are the key properties of (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol?
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol has a molecular weight of 331.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-en-1-ol is sourced from PubChem (CID 15109376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).