(1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol

C11H22O2Si — CID 173306600

IUPAC(1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol
SMILESC[SiH](C)O[C@@]1(O)C=C[C@@H](C(C)(C)C)C1
InChIInChI=1S/C11H22O2Si/c1-10(2,3)9-6-7-11(12,8-9)13-14(4)5/h6-7,9,12,14H,8H2,1-5H3/t9-,11+/m1/s1
InChIKeyPGWNGYSALBCQPP-KOLCDFICSA-N
MW214.38 g/mol
LogP2.30
Rot. Bonds2

About (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol

(1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol (PubChem CID 173306600) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol
PubChem CID173306600
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol
SMILESC[SiH](C)O[C@@]1(O)C=C[C@@H](C(C)(C)C)C1
InChIInChI=1S/C11H22O2Si/c1-10(2,3)9-6-7-11(12,8-9)13-14(4)5/h6-7,9,12,14H,8H2,1-5H3/t9-,11+/m1/s1
InChIKeyPGWNGYSALBCQPP-KOLCDFICSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol?
The IUPAC name of (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol (CID 173306600) is (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol is C[SiH](C)O[C@@]1(O)C=C[C@@H](C(C)(C)C)C1.
What is the InChIKey of (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol?
The InChIKey is PGWNGYSALBCQPP-KOLCDFICSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(2,3)9-6-7-11(12,8-9)13-14(4)5/h6-7,9,12,14H,8H2,1-5H3/t9-,11+/m1/s1.
What are the key properties of (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol?
(1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol has a molecular weight of 214.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol is sourced from PubChem (CID 173306600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).