trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol

C14H22OSi — CID 24796633

IUPACtrans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol
SMILESC=C=C[C@@]1(O)CCC[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-5-10-14(15)11-6-8-13(14)9-7-12-16(2,3)4/h10,13,15H,1,6,8-9,11H2,2-4H3/t13-,14-/m1/s1
InChIKeyORZJMGOZWFEHAM-ZIAGYGMSSA-N
MW234.41 g/mol
LogP3.13
Rot. Bonds2

About trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol

trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol (PubChem CID 24796633) has the molecular formula C14H22OSi and a molecular weight of 234.41 g/mol. Its IUPAC name is trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol
PubChem CID24796633
Molecular FormulaC14H22OSi
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Nametrans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol
SMILESC=C=C[C@@]1(O)CCC[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C14H22OSi/c1-5-10-14(15)11-6-8-13(14)9-7-12-16(2,3)4/h10,13,15H,1,6,8-9,11H2,2-4H3/t13-,14-/m1/s1
InChIKeyORZJMGOZWFEHAM-ZIAGYGMSSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol (CID 24796633) is trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol is C=C=C[C@@]1(O)CCC[C@@H]1CC#C[Si](C)(C)C.
What is the InChIKey of trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol?
The InChIKey is ORZJMGOZWFEHAM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22OSi/c1-5-10-14(15)11-6-8-13(14)9-7-12-16(2,3)4/h10,13,15H,1,6,8-9,11H2,2-4H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol?
trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol has a molecular weight of 234.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-propa-1,2-dienyl-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-ol is sourced from PubChem (CID 24796633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).