4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol

C13H26OSi — CID 12653262

IUPAC4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol
SMILESC=C=C(C(O)(CCC)CCC)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-10-13(14,11-8-2)12(9-3)15(4,5)6/h14H,3,7-8,10-11H2,1-2,4-6H3
InChIKeyQAIIYJIHUJXOLM-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.91
Rot. Bonds6

About 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol

4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol (PubChem CID 12653262) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol.

Molecular Properties

Compound Name4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol
PubChem CID12653262
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol
SMILESC=C=C(C(O)(CCC)CCC)[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-7-10-13(14,11-8-2)12(9-3)15(4,5)6/h14H,3,7-8,10-11H2,1-2,4-6H3
InChIKeyQAIIYJIHUJXOLM-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol?
The IUPAC name of 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol (CID 12653262) is 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol.
What is the SMILES notation for 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol?
The canonical SMILES for 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol is C=C=C(C(O)(CCC)CCC)[Si](C)(C)C.
What is the InChIKey of 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol?
The InChIKey is QAIIYJIHUJXOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-7-10-13(14,11-8-2)12(9-3)15(4,5)6/h14H,3,7-8,10-11H2,1-2,4-6H3.
What are the key properties of 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol?
4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol has a molecular weight of 226.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3-trimethylsilylhepta-1,2-dien-4-ol is sourced from PubChem (CID 12653262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).