[7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate

C23H40O3Si — CID 554352

IUPAC[7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1CCC2(C)CCC(OC(C)=O)C(C)=C2C1
InChIInChI=1S/C23H40O3Si/c1-16(15-25-27(8,9)22(4,5)6)19-10-12-23(7)13-11-21(26-18(3)24)17(2)20(23)14-19/h19,21H,1,10-15H2,2-9H3
InChIKeyPJGOGQFAOBZHCV-UHFFFAOYSA-N
MW392.66 g/mol
LogP6.41
Rot. Bonds5

About [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate

[7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate (PubChem CID 554352) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate
PubChem CID554352
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Name[7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C1CCC2(C)CCC(OC(C)=O)C(C)=C2C1
InChIInChI=1S/C23H40O3Si/c1-16(15-25-27(8,9)22(4,5)6)19-10-12-23(7)13-11-21(26-18(3)24)17(2)20(23)14-19/h19,21H,1,10-15H2,2-9H3
InChIKeyPJGOGQFAOBZHCV-UHFFFAOYSA-N
XLogP6.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.41
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 [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-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 [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate?
The IUPAC name of [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate (CID 554352) is [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate.
What is the SMILES notation for [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate?
The canonical SMILES for [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate is C=C(CO[Si](C)(C)C(C)(C)C)C1CCC2(C)CCC(OC(C)=O)C(C)=C2C1.
What is the InChIKey of [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate?
The InChIKey is PJGOGQFAOBZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-16(15-25-27(8,9)22(4,5)6)19-10-12-23(7)13-11-21(26-18(3)24)17(2)20(23)14-19/h19,21H,1,10-15H2,2-9H3.
What are the key properties of [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate?
[7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate has a molecular weight of 392.66 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate is sourced from PubChem (CID 554352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).