1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol

C21H42OSi — CID 14571872

IUPAC1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol
SMILESCCCCCCCCCC/C(=C\[Si](C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C21H42OSi/c1-5-6-7-8-9-10-11-13-16-20(19-23(2,3)4)21(22)17-14-12-15-18-21/h19,22H,5-18H2,1-4H3/b20-19+
InChIKeyPSGOSDHUMNJSOG-FMQUCBEESA-N
MW338.65 g/mol
LogP7.02
Rot. Bonds11

About 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol

1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol (PubChem CID 14571872) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol
PubChem CID14571872
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Name1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol
SMILESCCCCCCCCCC/C(=C\[Si](C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C21H42OSi/c1-5-6-7-8-9-10-11-13-16-20(19-23(2,3)4)21(22)17-14-12-15-18-21/h19,22H,5-18H2,1-4H3/b20-19+
InChIKeyPSGOSDHUMNJSOG-FMQUCBEESA-N
XLogP7.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 57.02
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 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol (CID 14571872) is 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol is CCCCCCCCCC/C(=C\[Si](C)(C)C)C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol?
The InChIKey is PSGOSDHUMNJSOG-FMQUCBEESA-N. The full InChI is InChI=1S/C21H42OSi/c1-5-6-7-8-9-10-11-13-16-20(19-23(2,3)4)21(22)17-14-12-15-18-21/h19,22H,5-18H2,1-4H3/b20-19+.
What are the key properties of 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol?
1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol has a molecular weight of 338.65 g/mol, XLogP of 7.02, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-trimethylsilyldodec-1-en-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 14571872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).