trimethylsilyl 3,7-dimethyloct-6-enoate

C13H26O2Si — CID 91709808

IUPACtrimethylsilyl 3,7-dimethyloct-6-enoate
SMILESCC(C)=CCCC(C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)8-7-9-12(3)10-13(14)15-16(4,5)6/h8,12H,7,9-10H2,1-6H3
InChIKeyNVBOIUPUPKAOBL-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.14
Rot. Bonds6

About trimethylsilyl 3,7-dimethyloct-6-enoate

trimethylsilyl 3,7-dimethyloct-6-enoate (PubChem CID 91709808) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is trimethylsilyl 3,7-dimethyloct-6-enoate.

Molecular Properties

Compound Nametrimethylsilyl 3,7-dimethyloct-6-enoate
PubChem CID91709808
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametrimethylsilyl 3,7-dimethyloct-6-enoate
SMILESCC(C)=CCCC(C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(2)8-7-9-12(3)10-13(14)15-16(4,5)6/h8,12H,7,9-10H2,1-6H3
InChIKeyNVBOIUPUPKAOBL-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.14
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 trimethylsilyl 3,7-dimethyloct-6-enoate?
The IUPAC name of trimethylsilyl 3,7-dimethyloct-6-enoate (CID 91709808) is trimethylsilyl 3,7-dimethyloct-6-enoate.
What is the SMILES notation for trimethylsilyl 3,7-dimethyloct-6-enoate?
The canonical SMILES for trimethylsilyl 3,7-dimethyloct-6-enoate is CC(C)=CCCC(C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,7-dimethyloct-6-enoate?
The InChIKey is NVBOIUPUPKAOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(2)8-7-9-12(3)10-13(14)15-16(4,5)6/h8,12H,7,9-10H2,1-6H3.
What are the key properties of trimethylsilyl 3,7-dimethyloct-6-enoate?
trimethylsilyl 3,7-dimethyloct-6-enoate has a molecular weight of 242.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,7-dimethyloct-6-enoate is sourced from PubChem (CID 91709808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).