6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol

C23H42OSi — CID 11428450

IUPAC6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol
SMILESC=CC1C([Si](C)(C)C)=C(CCCCCC)C=C(CCCCCC)C1O
InChIInChI=1S/C23H42OSi/c1-7-10-12-14-16-19-18-20(17-15-13-11-8-2)23(25(4,5)6)21(9-3)22(19)24/h9,18,21-22,24H,3,7-8,10-17H2,1-2,4-6H3
InChIKeyBZWUBOXXYOXGHP-UHFFFAOYSA-N
MW362.67 g/mol
LogP7.20
Rot. Bonds12

About 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol

6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol (PubChem CID 11428450) has the molecular formula C23H42OSi and a molecular weight of 362.67 g/mol. Its IUPAC name is 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol
PubChem CID11428450
Molecular FormulaC23H42OSi
Molecular Weight362.67 g/mol
Exact Mass362.30
IUPAC Name6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol
SMILESC=CC1C([Si](C)(C)C)=C(CCCCCC)C=C(CCCCCC)C1O
InChIInChI=1S/C23H42OSi/c1-7-10-12-14-16-19-18-20(17-15-13-11-8-2)23(25(4,5)6)21(9-3)22(19)24/h9,18,21-22,24H,3,7-8,10-17H2,1-2,4-6H3
InChIKeyBZWUBOXXYOXGHP-UHFFFAOYSA-N
XLogP7.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 57.20
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol (CID 11428450) is 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol is C=CC1C([Si](C)(C)C)=C(CCCCCC)C=C(CCCCCC)C1O.
What is the InChIKey of 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol?
The InChIKey is BZWUBOXXYOXGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42OSi/c1-7-10-12-14-16-19-18-20(17-15-13-11-8-2)23(25(4,5)6)21(9-3)22(19)24/h9,18,21-22,24H,3,7-8,10-17H2,1-2,4-6H3.
What are the key properties of 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol?
6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol has a molecular weight of 362.67 g/mol, XLogP of 7.20, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,4-dihexyl-5-trimethylsilylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 11428450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).