(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol

C9H18OSi — CID 101146882

IUPAC(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol
SMILESC[Si](C)(C)C[C@H]1C=CC[C@@H]1O
InChIInChI=1S/C9H18OSi/c1-11(2,3)7-8-5-4-6-9(8)10/h4-5,8-10H,6-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJISYLYXLCQTGNP-BDAKNGLRSA-N
MW170.33 g/mol
LogP2.26
Rot. Bonds2

About (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol

(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol (PubChem CID 101146882) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol
PubChem CID101146882
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol
SMILESC[Si](C)(C)C[C@H]1C=CC[C@@H]1O
InChIInChI=1S/C9H18OSi/c1-11(2,3)7-8-5-4-6-9(8)10/h4-5,8-10H,6-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyJISYLYXLCQTGNP-BDAKNGLRSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.26
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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Related Compounds

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1-[(1S,2S,6S)-2-ethyl-6-methylcyclohex-3-en-1-yl]ethanone
CID 67530837
2-[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol?
The IUPAC name of (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol (CID 101146882) is (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol is C[Si](C)(C)C[C@H]1C=CC[C@@H]1O.
What is the InChIKey of (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol?
The InChIKey is JISYLYXLCQTGNP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18OSi/c1-11(2,3)7-8-5-4-6-9(8)10/h4-5,8-10H,6-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol?
(1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol has a molecular weight of 170.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(trimethylsilylmethyl)cyclopent-3-en-1-ol is sourced from PubChem (CID 101146882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).