(1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol

C9H16O2Si — CID 10241504

IUPAC(1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol
SMILESC[Si](C)(C)C1=CC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C9H16O2Si/c1-12(2,3)8-6-4-5-7(10)9(8)11/h4-7,9-11H,1-3H3/t7-,9-/m0/s1
InChIKeyWNVRRVLAMAEDPI-CBAPKCEASA-N
MW184.31 g/mol
LogP1.08
Rot. Bonds1

About (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol

(1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol (PubChem CID 10241504) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol
PubChem CID10241504
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name(1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol
SMILESC[Si](C)(C)C1=CC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C9H16O2Si/c1-12(2,3)8-6-4-5-7(10)9(8)11/h4-7,9-11H,1-3H3/t7-,9-/m0/s1
InChIKeyWNVRRVLAMAEDPI-CBAPKCEASA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol?
The IUPAC name of (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol (CID 10241504) is (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol is C[Si](C)(C)C1=CC=C[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol?
The InChIKey is WNVRRVLAMAEDPI-CBAPKCEASA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)8-6-4-5-7(10)9(8)11/h4-7,9-11H,1-3H3/t7-,9-/m0/s1.
What are the key properties of (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol?
(1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol has a molecular weight of 184.31 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 10241504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).