2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol

C11H22OSi — CID 13211413

IUPAC2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol
SMILESC=C=C(C(O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9(13(5,6)7)10(12)11(2,3)4/h10,12H,1H2,2-7H3
InChIKeyCQOXWSLBKHJSFK-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.98
Rot. Bonds2

About 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol

2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol (PubChem CID 13211413) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol
PubChem CID13211413
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol
SMILESC=C=C(C(O)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9(13(5,6)7)10(12)11(2,3)4/h10,12H,1H2,2-7H3
InChIKeyCQOXWSLBKHJSFK-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol?
The IUPAC name of 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol (CID 13211413) is 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol.
What is the SMILES notation for 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol?
The canonical SMILES for 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol is C=C=C(C(O)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol?
The InChIKey is CQOXWSLBKHJSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-8-9(13(5,6)7)10(12)11(2,3)4/h10,12H,1H2,2-7H3.
What are the key properties of 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol?
2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol has a molecular weight of 198.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-trimethylsilylhexa-4,5-dien-3-ol is sourced from PubChem (CID 13211413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).