(1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane

C8H16O3Si — CID 68974112

IUPAC(1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane
SMILESCC1CCC=CC1(C)[Si](O)(O)O
InChIInChI=1S/C8H16O3Si/c1-7-5-3-4-6-8(7,2)12(9,10)11/h4,6-7,9-11H,3,5H2,1-2H3
InChIKeyHIBASJZFYQTRQG-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.65
Rot. Bonds1

About (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane

(1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane (PubChem CID 68974112) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane.

Molecular Properties

Compound Name(1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane
PubChem CID68974112
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Name(1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane
SMILESCC1CCC=CC1(C)[Si](O)(O)O
InChIInChI=1S/C8H16O3Si/c1-7-5-3-4-6-8(7,2)12(9,10)11/h4,6-7,9-11H,3,5H2,1-2H3
InChIKeyHIBASJZFYQTRQG-UHFFFAOYSA-N
XLogP0.65
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane?
The IUPAC name of (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane (CID 68974112) is (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane.
What is the SMILES notation for (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane?
The canonical SMILES for (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane is CC1CCC=CC1(C)[Si](O)(O)O.
What is the InChIKey of (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane?
The InChIKey is HIBASJZFYQTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-7-5-3-4-6-8(7,2)12(9,10)11/h4,6-7,9-11H,3,5H2,1-2H3.
What are the key properties of (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane?
(1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane has a molecular weight of 188.30 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohex-2-en-1-yl)-trihydroxysilane is sourced from PubChem (CID 68974112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).