ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate

C15H30O2Si — CID 11231042

IUPACethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)CC(C)CC/C=C(\C)C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-17-15(16)11-13(2)9-8-10-14(3)12-18(4,5)6/h10,13H,7-9,11-12H2,1-6H3/b14-10+
InChIKeyKRNVNWDYOJDANN-GXDHUFHOSA-N
MW270.49 g/mol
LogP4.64
Rot. Bonds8

About ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate

ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate (PubChem CID 11231042) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate.

Molecular Properties

Compound Nameethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
PubChem CID11231042
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nameethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)CC(C)CC/C=C(\C)C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-17-15(16)11-13(2)9-8-10-14(3)12-18(4,5)6/h10,13H,7-9,11-12H2,1-6H3/b14-10+
InChIKeyKRNVNWDYOJDANN-GXDHUFHOSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.64
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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Related Compounds

Citronellyl propionate
CID 8834
Citronellyl butyrate
CID 8835
Methyl rhodinolate
CID 61290
Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 114416
Citronellyl isobutyrate
CID 60985
Citronellyl valerate
CID 61416
Citronellyl isovalerate
CID 111440
2-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
CID 21149847
3,7-Dimethyl-6-octenyl 3,7-dimethyloct-6-enoate
CID 3086155
3,7-Dimethyloct-6-enyl 2-methylbutyrate
CID 3020680
Ethyl 4-methylcyclohex-3-ene-1-carboxylate
CID 14066614
Methyl (3R)-3,7-dimethyloct-6-enoate
CID 10976170

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate?
The IUPAC name of ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate (CID 11231042) is ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate.
What is the SMILES notation for ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate?
The canonical SMILES for ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate is CCOC(=O)CC(C)CC/C=C(\C)C[Si](C)(C)C.
What is the InChIKey of ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate?
The InChIKey is KRNVNWDYOJDANN-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-17-15(16)11-13(2)9-8-10-14(3)12-18(4,5)6/h10,13H,7-9,11-12H2,1-6H3/b14-10+.
What are the key properties of ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate?
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate has a molecular weight of 270.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate is sourced from PubChem (CID 11231042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).