cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol

C12H24OSi — CID 122216041

IUPACcis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol
SMILESC=CCC([C@@H]1CC[C@H](O)C1)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-6-12(14(2,3)4)10-7-8-11(13)9-10/h5,10-13H,1,6-9H2,2-4H3/t10-,11+,12?/m1/s1
InChIKeyIQCIITKAMQMDPT-UBNQGINQSA-N
MW212.41 g/mol
LogP3.43
Rot. Bonds4

About cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol

cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol (PubChem CID 122216041) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol
PubChem CID122216041
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Namecis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol
SMILESC=CCC([C@@H]1CC[C@H](O)C1)[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-6-12(14(2,3)4)10-7-8-11(13)9-10/h5,10-13H,1,6-9H2,2-4H3/t10-,11+,12?/m1/s1
InChIKeyIQCIITKAMQMDPT-UBNQGINQSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol (CID 122216041) is cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol is C=CCC([C@@H]1CC[C@H](O)C1)[Si](C)(C)C.
What is the InChIKey of cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
The InChIKey is IQCIITKAMQMDPT-UBNQGINQSA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-6-12(14(2,3)4)10-7-8-11(13)9-10/h5,10-13H,1,6-9H2,2-4H3/t10-,11+,12?/m1/s1.
What are the key properties of cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol?
cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol has a molecular weight of 212.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(1-trimethylsilylbut-3-enyl)cyclopentan-1-ol is sourced from PubChem (CID 122216041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).