(E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol

C11H24OSi — CID 11084880

IUPAC(E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol
SMILES[2H]/C(=C\[C@@H](O)CCCCC)[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h9-12H,5-8H2,1-4H3/b10-9+/t11-/m0/s1/i10D
InChIKeyUIYNJHZMMWSTOI-IMXPVRLJSA-N
MW201.40 g/mol
LogP3.36
Rot. Bonds6

About (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol

(E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol (PubChem CID 11084880) has the molecular formula C11H24OSi and a molecular weight of 201.40 g/mol. Its IUPAC name is (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol.

Molecular Properties

Compound Name(E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol
PubChem CID11084880
Molecular FormulaC11H24OSi
Molecular Weight201.40 g/mol
Exact Mass201.17
IUPAC Name(E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol
SMILES[2H]/C(=C\[C@@H](O)CCCCC)[Si](C)(C)C
InChIInChI=1S/C11H24OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h9-12H,5-8H2,1-4H3/b10-9+/t11-/m0/s1/i10D
InChIKeyUIYNJHZMMWSTOI-IMXPVRLJSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol?
The IUPAC name of (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol (CID 11084880) is (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol.
What is the SMILES notation for (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol?
The canonical SMILES for (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol is [2H]/C(=C\[C@@H](O)CCCCC)[Si](C)(C)C.
What is the InChIKey of (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol?
The InChIKey is UIYNJHZMMWSTOI-IMXPVRLJSA-N. The full InChI is InChI=1S/C11H24OSi/c1-5-6-7-8-11(12)9-10-13(2,3)4/h9-12H,5-8H2,1-4H3/b10-9+/t11-/m0/s1/i10D.
What are the key properties of (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol?
(E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol has a molecular weight of 201.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol is sourced from PubChem (CID 11084880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).