[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate

C20H36O4Si — CID 101229220

IUPAC[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
SMILESCC[Si](CC)(CC)/C(C)=C1/CC(COC(C)=O)(COC(C)=O)CC1C
InChIInChI=1S/C20H36O4Si/c1-8-25(9-2,10-3)16(5)19-12-20(11-15(19)4,13-23-17(6)21)14-24-18(7)22/h15H,8-14H2,1-7H3/b19-16-
InChIKeyAYHQMHIUCNUYGW-MNDPQUGUSA-N
MW368.59 g/mol
LogP4.89
Rot. Bonds8

About [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate

[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate (PubChem CID 101229220) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
PubChem CID101229220
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
SMILESCC[Si](CC)(CC)/C(C)=C1/CC(COC(C)=O)(COC(C)=O)CC1C
InChIInChI=1S/C20H36O4Si/c1-8-25(9-2,10-3)16(5)19-12-20(11-15(19)4,13-23-17(6)21)14-24-18(7)22/h15H,8-14H2,1-7H3/b19-16-
InChIKeyAYHQMHIUCNUYGW-MNDPQUGUSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
[(1Z)-1-[4,4-bis(methoxymethyl)-2-methylcyclopentylidene]ethyl]-triethylsilane
CID 101229219
dimethyl (4Z)-3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 11256314
[(3S,4R)-3-[(E)-but-1-enyl]-1-(2,2-dimethylpropanoyloxymethyl)-4-(triethylsilylmethyl)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 101154288
[(3E,4Z)-1-(2,2-dimethylpropanoyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl 2,2-dimethylpropanoate
CID 101217888
[(3E,4Z)-1-(acetyloxymethyl)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate
CID 101217889
[(4Z)-3-methyl-1-(propanoyloxymethyl)-4-(1-triethylsilylethylidene)cyclopentyl]methyl propanoate
CID 101229221
dimethyl (4E)-3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 101335041
dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate
CID 177429239
Diethyl 2,2,3-trimethyl-1,4,6,6a-tetrahydrocyclopenta[c]silole-5,5-dicarboxylate
CID 177433137

Frequently Asked Questions

What is the IUPAC name of [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
The IUPAC name of [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate (CID 101229220) is [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate.
What is the SMILES notation for [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
The canonical SMILES for [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate is CC[Si](CC)(CC)/C(C)=C1/CC(COC(C)=O)(COC(C)=O)CC1C.
What is the InChIKey of [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
The InChIKey is AYHQMHIUCNUYGW-MNDPQUGUSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-8-25(9-2,10-3)16(5)19-12-20(11-15(19)4,13-23-17(6)21)14-24-18(7)22/h15H,8-14H2,1-7H3/b19-16-.
What are the key properties of [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate?
[(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate has a molecular weight of 368.59 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-1-(acetyloxymethyl)-3-methyl-4-(1-triethylsilylethylidene)cyclopentyl]methyl acetate is sourced from PubChem (CID 101229220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).