4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol

C13H26OSi — CID 13149361

IUPAC4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CCC[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-6-9-13(14,10-7-2)11-8-12-15(3,4)5/h6-7,14H,1-2,8-12H2,3-5H3
InChIKeyMYSZPYXQPNLNOB-UHFFFAOYSA-N
MW226.44 g/mol
LogP3.99
Rot. Bonds8

About 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol

4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol (PubChem CID 13149361) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol
PubChem CID13149361
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)CCC[Si](C)(C)C
InChIInChI=1S/C13H26OSi/c1-6-9-13(14,10-7-2)11-8-12-15(3,4)5/h6-7,14H,1-2,8-12H2,3-5H3
InChIKeyMYSZPYXQPNLNOB-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.99
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 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol (CID 13149361) is 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)CCC[Si](C)(C)C.
What is the InChIKey of 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol?
The InChIKey is MYSZPYXQPNLNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-6-9-13(14,10-7-2)11-8-12-15(3,4)5/h6-7,14H,1-2,8-12H2,3-5H3.
What are the key properties of 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol?
4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol has a molecular weight of 226.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-trimethylsilylpropyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 13149361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).