methyl (E)-2-triethylgermyloct-2-enoate

C15H30GeO2 — CID 11565899

IUPACmethyl (E)-2-triethylgermyloct-2-enoate
SMILESCCCCC/C=C(\C(=O)OC)[Ge](CC)(CC)CC
InChIInChI=1S/C15H30GeO2/c1-6-10-11-12-13-14(15(17)18-5)16(7-2,8-3)9-4/h13H,6-12H2,1-5H3/b14-13+
InChIKeyJZPVANAXWIXYRK-BUHFOSPRSA-N
MW315.01 g/mol
LogP4.71
Rot. Bonds9

About methyl (E)-2-triethylgermyloct-2-enoate

methyl (E)-2-triethylgermyloct-2-enoate (PubChem CID 11565899) has the molecular formula C15H30GeO2 and a molecular weight of 315.01 g/mol. Its IUPAC name is methyl (E)-2-triethylgermyloct-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-triethylgermyloct-2-enoate
PubChem CID11565899
Molecular FormulaC15H30GeO2
Molecular Weight315.01 g/mol
Exact Mass316.15
IUPAC Namemethyl (E)-2-triethylgermyloct-2-enoate
SMILESCCCCC/C=C(\C(=O)OC)[Ge](CC)(CC)CC
InChIInChI=1S/C15H30GeO2/c1-6-10-11-12-13-14(15(17)18-5)16(7-2,8-3)9-4/h13H,6-12H2,1-5H3/b14-13+
InChIKeyJZPVANAXWIXYRK-BUHFOSPRSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.01
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
Methyl geranate
CID 5365910
Ethyl (E)-2-heptenoate
CID 5358363
Ethyl 2-decenoate, (2E)-
CID 5463904
Methyl 2-nonenoate
CID 5368076
Methyl oct-2-enoate
CID 5364532
Methyl 2,4-decadienoate, (2E,4Z)-
CID 6436336
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
Ethyl 2-octenoate, (2E)-
CID 5364399
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
2-Octenoic acid, methyl ester
CID 61313
Methyl dec-2-enoate
CID 81834

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-triethylgermyloct-2-enoate?
The IUPAC name of methyl (E)-2-triethylgermyloct-2-enoate (CID 11565899) is methyl (E)-2-triethylgermyloct-2-enoate.
What is the SMILES notation for methyl (E)-2-triethylgermyloct-2-enoate?
The canonical SMILES for methyl (E)-2-triethylgermyloct-2-enoate is CCCCC/C=C(\C(=O)OC)[Ge](CC)(CC)CC.
What is the InChIKey of methyl (E)-2-triethylgermyloct-2-enoate?
The InChIKey is JZPVANAXWIXYRK-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H30GeO2/c1-6-10-11-12-13-14(15(17)18-5)16(7-2,8-3)9-4/h13H,6-12H2,1-5H3/b14-13+.
What are the key properties of methyl (E)-2-triethylgermyloct-2-enoate?
methyl (E)-2-triethylgermyloct-2-enoate has a molecular weight of 315.01 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-triethylgermyloct-2-enoate is sourced from PubChem (CID 11565899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).