[(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate

C19H36O4Si — CID 23241047

IUPAC[(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate
SMILESCC(=O)OCC/C=C(/CCC1OC(C)(C)OC1(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H36O4Si/c1-15(20)21-13-9-10-16(14-24(6,7)8)11-12-17-18(2,3)23-19(4,5)22-17/h10,17H,9,11-14H2,1-8H3/b16-10-
InChIKeyTWILOAUYMQQTPK-YBEGLDIGSA-N
MW356.58 g/mol
LogP4.91
Rot. Bonds8

About [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate

[(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate (PubChem CID 23241047) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate.

Molecular Properties

Compound Name[(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate
PubChem CID23241047
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name[(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate
SMILESCC(=O)OCC/C=C(/CCC1OC(C)(C)OC1(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H36O4Si/c1-15(20)21-13-9-10-16(14-24(6,7)8)11-12-17-18(2,3)23-19(4,5)22-17/h10,17H,9,11-14H2,1-8H3/b16-10-
InChIKeyTWILOAUYMQQTPK-YBEGLDIGSA-N
XLogP4.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate with MolForge

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Related Compounds

methyl (E)-5-[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate
CID 46180491
tert-butyl(((2E,6E)-9-((S)-3,3-dimethyloxiran-2-yl)-1-(1,3-dioxolan-2-yl)-7-methylnona-2,6-dien-3-yl)oxy)dimethylsilane
CID 127054613
(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol
CID 11130844
[(E,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-4-enyl] acetate
CID 10693158
[(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-4-enyl] acetate
CID 10716731
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 10981936
tert-butyl-[(3E,7Z,11E,15E)-1-[(2S)-3,3-dimethyloxiran-2-yl]-3,12,16-trimethyl-18-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]octadeca-3,7,11,15-tetraen-7-yl]oxy-dimethylsilane
CID 11204329
[(Z,2S,9S)-10-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-9-(2-trimethylsilylethoxymethoxy)dec-6-enyl] 2,2-dimethylpropanoate
CID 11318762
[(E,1S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]hex-4-enyl] 2,2-dimethylpropanoate
CID 11408110
(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-en-1-ol
CID 23241046
tert-butyl [(2S,3S)-3-[(3E,7E)-11-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethylundeca-3,7-dienyl]-2-methyloxiran-2-yl]methyl carbonate
CID 71623568
ethyl (3E,7E)-4,8-dimethyl-10-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]deca-3,7-dienoate
CID 101156452

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate?
The IUPAC name of [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate (CID 23241047) is [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate.
What is the SMILES notation for [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate?
The canonical SMILES for [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate is CC(=O)OCC/C=C(/CCC1OC(C)(C)OC1(C)C)C[Si](C)(C)C.
What is the InChIKey of [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate?
The InChIKey is TWILOAUYMQQTPK-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-15(20)21-13-9-10-16(14-24(6,7)8)11-12-17-18(2,3)23-19(4,5)22-17/h10,17H,9,11-14H2,1-8H3/b16-10-.
What are the key properties of [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate?
[(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate has a molecular weight of 356.58 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-4-(trimethylsilylmethyl)hex-3-enyl] acetate is sourced from PubChem (CID 23241047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).