2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol

C13H28OSi2 — CID 86000456

IUPAC2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol
SMILESC=C(C[Si](C)(C)C)C(O)C(=C)C[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-11(9-15(3,4)5)13(14)12(2)10-16(6,7)8/h13-14H,1-2,9-10H2,3-8H3
InChIKeyFDWKTEDZTXNVST-UHFFFAOYSA-N
MW256.54 g/mol
LogP4.14
Rot. Bonds6

About 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol

2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol (PubChem CID 86000456) has the molecular formula C13H28OSi2 and a molecular weight of 256.54 g/mol. Its IUPAC name is 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol
PubChem CID86000456
Molecular FormulaC13H28OSi2
Molecular Weight256.54 g/mol
Exact Mass256.17
IUPAC Name2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol
SMILESC=C(C[Si](C)(C)C)C(O)C(=C)C[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-11(9-15(3,4)5)13(14)12(2)10-16(6,7)8/h13-14H,1-2,9-10H2,3-8H3
InChIKeyFDWKTEDZTXNVST-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.54
LogP ≤ 54.14
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 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol?
The IUPAC name of 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol (CID 86000456) is 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol.
What is the SMILES notation for 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol?
The canonical SMILES for 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol is C=C(C[Si](C)(C)C)C(O)C(=C)C[Si](C)(C)C.
What is the InChIKey of 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol?
The InChIKey is FDWKTEDZTXNVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi2/c1-11(9-15(3,4)5)13(14)12(2)10-16(6,7)8/h13-14H,1-2,9-10H2,3-8H3.
What are the key properties of 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol?
2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol has a molecular weight of 256.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trimethylsilylmethyl)penta-1,4-dien-3-ol is sourced from PubChem (CID 86000456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).