6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol

C18H38OSi2 — CID 135020894

IUPAC6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILES[2H]/C=C/CC(O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C18H38OSi2/c1-8-15-17(19)16-18(20(9-2,10-3)11-4)21(12-5,13-6)14-7/h8,16-17,19H,1,9-15H2,2-7H3/i1D/b8-1+
InChIKeyIRDUNCOHOFIHQF-VMXSNMPISA-N
MW327.68 g/mol
LogP5.95
Rot. Bonds11

About 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol

6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (PubChem CID 135020894) has the molecular formula C18H38OSi2 and a molecular weight of 327.68 g/mol. Its IUPAC name is 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
PubChem CID135020894
Molecular FormulaC18H38OSi2
Molecular Weight327.68 g/mol
Exact Mass327.25
IUPAC Name6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILES[2H]/C=C/CC(O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C18H38OSi2/c1-8-15-17(19)16-18(20(9-2,10-3)11-4)21(12-5,13-6)14-7/h8,16-17,19H,1,9-15H2,2-7H3/i1D/b8-1+
InChIKeyIRDUNCOHOFIHQF-VMXSNMPISA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.68
LogP ≤ 55.95
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 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The IUPAC name of 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (CID 135020894) is 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.
What is the SMILES notation for 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The canonical SMILES for 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is [2H]/C=C/CC(O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The InChIKey is IRDUNCOHOFIHQF-VMXSNMPISA-N. The full InChI is InChI=1S/C18H38OSi2/c1-8-15-17(19)16-18(20(9-2,10-3)11-4)21(12-5,13-6)14-7/h8,16-17,19H,1,9-15H2,2-7H3/i1D/b8-1+.
What are the key properties of 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol has a molecular weight of 327.68 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 135020894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).