4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol

C21H42O2Si — CID 69134815

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(O)CCCCC
InChIInChI=1S/C21H42O2Si/c1-8-10-12-14-18-16-19(23-24(6,7)20(3,4)5)17-21(18,22)15-13-11-9-2/h16,19,22H,8-15,17H2,1-7H3
InChIKeyVZWKTJYPUINLRE-UHFFFAOYSA-N
MW354.65 g/mol
LogP6.60
Rot. Bonds10

About 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol (PubChem CID 69134815) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol
PubChem CID69134815
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol
SMILESCCCCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(O)CCCCC
InChIInChI=1S/C21H42O2Si/c1-8-10-12-14-18-16-19(23-24(6,7)20(3,4)5)17-21(18,22)15-13-11-9-2/h16,19,22H,8-15,17H2,1-7H3
InChIKeyVZWKTJYPUINLRE-UHFFFAOYSA-N
XLogP6.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol (CID 69134815) is 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol is CCCCCC1=CC(O[Si](C)(C)C(C)(C)C)CC1(O)CCCCC.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol?
The InChIKey is VZWKTJYPUINLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-8-10-12-14-18-16-19(23-24(6,7)20(3,4)5)17-21(18,22)15-13-11-9-2/h16,19,22H,8-15,17H2,1-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol has a molecular weight of 354.65 g/mol, XLogP of 6.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1,2-dipentylcyclopent-2-en-1-ol is sourced from PubChem (CID 69134815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).