5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol

C18H36O2Si — CID 67102120

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
SMILESCCCC1(C(CC=CCO)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H36O2Si/c1-7-12-18(13-10-14-18)16(11-8-9-15-19)20-21(5,6)17(2,3)4/h8-9,16,19H,7,10-15H2,1-6H3
InChIKeyNMDGBQQVORJPGK-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.29
Rot. Bonds8

About 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol

5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol (PubChem CID 67102120) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
PubChem CID67102120
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol
SMILESCCCC1(C(CC=CCO)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C18H36O2Si/c1-7-12-18(13-10-14-18)16(11-8-9-15-19)20-21(5,6)17(2,3)4/h8-9,16,19H,7,10-15H2,1-6H3
InChIKeyNMDGBQQVORJPGK-UHFFFAOYSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol (CID 67102120) is 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol is CCCC1(C(CC=CCO)O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
The InChIKey is NMDGBQQVORJPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-12-18(13-10-14-18)16(11-8-9-15-19)20-21(5,6)17(2,3)4/h8-9,16,19H,7,10-15H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol?
5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol has a molecular weight of 312.57 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-5-(1-propylcyclobutyl)pent-2-en-1-ol is sourced from PubChem (CID 67102120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).