[(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate

C22H34O3Si — CID 66557273

IUPAC[(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate
SMILESC=CC[C@]1(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2CC[C@H]1OC(C)=O
InChIInChI=1S/C22H34O3Si/c1-9-14-22(6)19-12-11-18(25-26(7,8)21(3,4)5)15-17(19)10-13-20(22)24-16(2)23/h9,11-12,15,20H,1,10,13-14H2,2-8H3/t20-,22-/m1/s1
InChIKeyQYQFVUCXLDLYFG-IFMALSPDSA-N
MW374.60 g/mol
LogP5.78
Rot. Bonds5

About [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate

[(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate (PubChem CID 66557273) has the molecular formula C22H34O3Si and a molecular weight of 374.60 g/mol. Its IUPAC name is [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate
PubChem CID66557273
Molecular FormulaC22H34O3Si
Molecular Weight374.60 g/mol
Exact Mass374.23
IUPAC Name[(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate
SMILESC=CC[C@]1(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2CC[C@H]1OC(C)=O
InChIInChI=1S/C22H34O3Si/c1-9-14-22(6)19-12-11-18(25-26(7,8)21(3,4)5)15-17(19)10-13-20(22)24-16(2)23/h9,11-12,15,20H,1,10,13-14H2,2-8H3/t20-,22-/m1/s1
InChIKeyQYQFVUCXLDLYFG-IFMALSPDSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-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 [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate?
The IUPAC name of [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate (CID 66557273) is [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate.
What is the SMILES notation for [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate?
The canonical SMILES for [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate is C=CC[C@]1(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2CC[C@H]1OC(C)=O.
What is the InChIKey of [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate?
The InChIKey is QYQFVUCXLDLYFG-IFMALSPDSA-N. The full InChI is InChI=1S/C22H34O3Si/c1-9-14-22(6)19-12-11-18(25-26(7,8)21(3,4)5)15-17(19)10-13-20(22)24-16(2)23/h9,11-12,15,20H,1,10,13-14H2,2-8H3/t20-,22-/m1/s1.
What are the key properties of [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate?
[(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate has a molecular weight of 374.60 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-6-[tert-butyl(dimethyl)silyl]oxy-1-methyl-1-prop-2-enyl-3,4-dihydro-2H-naphthalen-2-yl] acetate is sourced from PubChem (CID 66557273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).