[2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol

C13H26OSi — CID 10561242

IUPAC[2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol
SMILESCC1(C)C=C(C[Si](C)(C)C)CCC1CO
InChIInChI=1S/C13H26OSi/c1-13(2)8-11(10-15(3,4)5)6-7-12(13)9-14/h8,12,14H,6-7,9-10H2,1-5H3
InChIKeyZQLCPNJGENTUAY-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.68
Rot. Bonds3

About [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol

[2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 10561242) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol
PubChem CID10561242
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name[2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol
SMILESCC1(C)C=C(C[Si](C)(C)C)CCC1CO
InChIInChI=1S/C13H26OSi/c1-13(2)8-11(10-15(3,4)5)6-7-12(13)9-14/h8,12,14H,6-7,9-10H2,1-5H3
InChIKeyZQLCPNJGENTUAY-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol (CID 10561242) is [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol is CC1(C)C=C(C[Si](C)(C)C)CCC1CO.
What is the InChIKey of [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is ZQLCPNJGENTUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-13(2)8-11(10-15(3,4)5)6-7-12(13)9-14/h8,12,14H,6-7,9-10H2,1-5H3.
What are the key properties of [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol?
[2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 226.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-4-(trimethylsilylmethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 10561242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).