ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate

C20H38O3Si — CID 10893618

IUPACethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
SMILESC=CCC(C)(C(=O)OCC)C(CCC(=C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O3Si/c1-9-16-20(8,19(21)22-10-2)18(15-14-17(6)7)23-24(11-3,12-4)13-5/h9,18H,1,6,10-16H2,2-5,7-8H3
InChIKeyZWCQAYSHUUOZSK-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.88
Rot. Bonds13

About ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate

ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate (PubChem CID 10893618) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
PubChem CID10893618
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Nameethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate
SMILESC=CCC(C)(C(=O)OCC)C(CCC(=C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H38O3Si/c1-9-16-20(8,19(21)22-10-2)18(15-14-17(6)7)23-24(11-3,12-4)13-5/h9,18H,1,6,10-16H2,2-5,7-8H3
InChIKeyZWCQAYSHUUOZSK-UHFFFAOYSA-N
XLogP5.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.88
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'}

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Related Compounds

ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl (2S)-2-[(1R)-1-hydroxypropyl]-2-methylpent-4-enoate
CID 58226973
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
CID 101058403
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate
CID 11601670
ethyl 2-ethyl-4-methyl-2-prop-2-enylpent-4-enoate
CID 91533007
[(2E,6R,7S)-7-(methoxymethoxy)-3,7-dimethyl-6-triethylsilyloxyundeca-2,10-dienyl] acetate
CID 44556575
ethyl 2-acetyl-2-fluoropent-4-enoate
CID 15372207
ethyl 2-(ethylperoxymethyl)-2-prop-2-enylpent-4-enoate
CID 88570454

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate?
The IUPAC name of ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate (CID 10893618) is ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate.
What is the SMILES notation for ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate?
The canonical SMILES for ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate is C=CCC(C)(C(=O)OCC)C(CCC(=C)C)O[Si](CC)(CC)CC.
What is the InChIKey of ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate?
The InChIKey is ZWCQAYSHUUOZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-9-16-20(8,19(21)22-10-2)18(15-14-17(6)7)23-24(11-3,12-4)13-5/h9,18H,1,6,10-16H2,2-5,7-8H3.
What are the key properties of ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate?
ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate has a molecular weight of 354.61 g/mol, XLogP of 5.88, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilyloxyhept-6-enoate is sourced from PubChem (CID 10893618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).