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

C20H38O2Si — CID 102243046

IUPACethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate
SMILESC=CCC(C)(C(=O)OCC)C(CCC(=C)C)[Si](CC)(CC)CC
InChIInChI=1S/C20H38O2Si/c1-9-16-20(8,19(21)22-10-2)18(15-14-17(6)7)23(11-3,12-4)13-5/h9,18H,1,6,10-16H2,2-5,7-8H3
InChIKeyIKCFIKHZDYLVMG-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.37
Rot. Bonds12

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

ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate (PubChem CID 102243046) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate
PubChem CID102243046
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Nameethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate
SMILESC=CCC(C)(C(=O)OCC)C(CCC(=C)C)[Si](CC)(CC)CC
InChIInChI=1S/C20H38O2Si/c1-9-16-20(8,19(21)22-10-2)18(15-14-17(6)7)23(11-3,12-4)13-5/h9,18H,1,6,10-16H2,2-5,7-8H3
InChIKeyIKCFIKHZDYLVMG-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate?
The IUPAC name of ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate (CID 102243046) is ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate.
What is the SMILES notation for ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate?
The canonical SMILES for ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate is C=CCC(C)(C(=O)OCC)C(CCC(=C)C)[Si](CC)(CC)CC.
What is the InChIKey of ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate?
The InChIKey is IKCFIKHZDYLVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-9-16-20(8,19(21)22-10-2)18(15-14-17(6)7)23(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-triethylsilylhept-6-enoate?
ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate has a molecular weight of 338.61 g/mol, XLogP of 6.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-2-prop-2-enyl-3-triethylsilylhept-6-enoate is sourced from PubChem (CID 102243046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).