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

C19H40OSi2 — CID 135073378

IUPAC5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILESC=C(C)CC(O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C19H40OSi2/c1-9-21(10-2,11-3)19(16-18(20)15-17(7)8)22(12-4,13-5)14-6/h16,18,20H,7,9-15H2,1-6,8H3
InChIKeyAFTPUSDCWDBPOJ-UHFFFAOYSA-N
MW340.70 g/mol
LogP6.34
Rot. Bonds11

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

5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (PubChem CID 135073378) has the molecular formula C19H40OSi2 and a molecular weight of 340.70 g/mol. Its IUPAC name is 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
PubChem CID135073378
Molecular FormulaC19H40OSi2
Molecular Weight340.70 g/mol
Exact Mass340.26
IUPAC Name5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol
SMILESC=C(C)CC(O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C19H40OSi2/c1-9-21(10-2,11-3)19(16-18(20)15-17(7)8)22(12-4,13-5)14-6/h16,18,20H,7,9-15H2,1-6,8H3
InChIKeyAFTPUSDCWDBPOJ-UHFFFAOYSA-N
XLogP6.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.70
LogP ≤ 56.34
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 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The IUPAC name of 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol (CID 135073378) is 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol.
What is the SMILES notation for 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The canonical SMILES for 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is C=C(C)CC(O)C=C([Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
The InChIKey is AFTPUSDCWDBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40OSi2/c1-9-21(10-2,11-3)19(16-18(20)15-17(7)8)22(12-4,13-5)14-6/h16,18,20H,7,9-15H2,1-6,8H3.
What are the key properties of 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol?
5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol has a molecular weight of 340.70 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-bis(triethylsilyl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 135073378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).