[(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate

C19H36O5Si — CID 11740042

IUPAC[(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=C[C@@H](OC(C)=O)[C@H]1C
InChIInChI=1S/C19H36O5Si/c1-8-25(9-2,10-3)24-19-14(4)17(22-13-21-7)11-12-18(15(19)5)23-16(6)20/h11-12,14-15,17-19H,8-10,13H2,1-7H3/t14-,15+,17+,18+,19-/m0/s1
InChIKeyDAMCUPZJQRORJQ-KFXXHRTLSA-N
MW372.58 g/mol
LogP4.14
Rot. Bonds9

About [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate

[(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate (PubChem CID 11740042) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate
PubChem CID11740042
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=C[C@@H](OC(C)=O)[C@H]1C
InChIInChI=1S/C19H36O5Si/c1-8-25(9-2,10-3)24-19-14(4)17(22-13-21-7)11-12-18(15(19)5)23-16(6)20/h11-12,14-15,17-19H,8-10,13H2,1-7H3/t14-,15+,17+,18+,19-/m0/s1
InChIKeyDAMCUPZJQRORJQ-KFXXHRTLSA-N
XLogP4.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-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 [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate?
The IUPAC name of [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate (CID 11740042) is [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate is CC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)C=C[C@@H](OC(C)=O)[C@H]1C.
What is the InChIKey of [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate?
The InChIKey is DAMCUPZJQRORJQ-KFXXHRTLSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-8-25(9-2,10-3)24-19-14(4)17(22-13-21-7)11-12-18(15(19)5)23-16(6)20/h11-12,14-15,17-19H,8-10,13H2,1-7H3/t14-,15+,17+,18+,19-/m0/s1.
What are the key properties of [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate?
[(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate has a molecular weight of 372.58 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R,5S,6S,7R)-4-(methoxymethoxy)-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-yl] acetate is sourced from PubChem (CID 11740042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).