2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol

C13H26OSi — CID 139254389

IUPAC2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol
SMILESC=C=C(CCC(O)C(C)C)C[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-12(10-15(4,5)6)8-9-13(14)11(2)3/h11,13-14H,1,8-10H2,2-6H3
InChIKeyIHVMDMGJGBEROJ-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.83
Rot. Bonds6

About 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol

2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol (PubChem CID 139254389) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol.

Molecular Properties

Compound Name2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol
PubChem CID139254389
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol
SMILESC=C=C(CCC(O)C(C)C)C[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-12(10-15(4,5)6)8-9-13(14)11(2)3/h11,13-14H,1,8-10H2,2-6H3
InChIKeyIHVMDMGJGBEROJ-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.83
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-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol?
The IUPAC name of 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol (CID 139254389) is 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol.
What is the SMILES notation for 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol?
The canonical SMILES for 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol is C=C=C(CCC(O)C(C)C)C[Si](C)(C)C.
What is the InChIKey of 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol?
The InChIKey is IHVMDMGJGBEROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-12(10-15(4,5)6)8-9-13(14)11(2)3/h11,13-14H,1,8-10H2,2-6H3.
What are the key properties of 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol?
2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol has a molecular weight of 226.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trimethylsilylmethyl)octa-6,7-dien-3-ol is sourced from PubChem (CID 139254389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).