[(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate

C19H34O3Si — CID 44521201

IUPAC[(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate
SMILESCCCCC1=CC(OC(C)=O)=C(C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-9-10-11-16-13-17(21-15(3)20)14(2)12-18(16)22-23(7,8)19(4,5)6/h13,18H,9-12H2,1-8H3/t18-/m1/s1
InChIKeyKXZRAPIWDKPGOS-GOSISDBHSA-N
MW338.56 g/mol
LogP5.73
Rot. Bonds6

About [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate

[(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate (PubChem CID 44521201) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate.

Molecular Properties

Compound Name[(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate
PubChem CID44521201
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name[(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate
SMILESCCCCC1=CC(OC(C)=O)=C(C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-9-10-11-16-13-17(21-15(3)20)14(2)12-18(16)22-23(7,8)19(4,5)6/h13,18H,9-12H2,1-8H3/t18-/m1/s1
InChIKeyKXZRAPIWDKPGOS-GOSISDBHSA-N
XLogP5.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate?
The IUPAC name of [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate (CID 44521201) is [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate.
What is the SMILES notation for [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate?
The canonical SMILES for [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate is CCCCC1=CC(OC(C)=O)=C(C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate?
The InChIKey is KXZRAPIWDKPGOS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-9-10-11-16-13-17(21-15(3)20)14(2)12-18(16)22-23(7,8)19(4,5)6/h13,18H,9-12H2,1-8H3/t18-/m1/s1.
What are the key properties of [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate?
[(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate has a molecular weight of 338.56 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-1,5-dien-1-yl] acetate is sourced from PubChem (CID 44521201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).