3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate

C15H28GeO3 — CID 102044478

IUPAC3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate
SMILESC=CC(CCCCC)(OC(=O)CC(C)=O)[Ge](C)(C)C
InChIInChI=1S/C15H28GeO3/c1-7-9-10-11-15(8-2,16(4,5)6)19-14(18)12-13(3)17/h8H,2,7,9-12H2,1,3-6H3
InChIKeyHDLXQHANPAXQJK-UHFFFAOYSA-N
MW329.00 g/mol
LogP3.89
Rot. Bonds9

About 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate

3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate (PubChem CID 102044478) has the molecular formula C15H28GeO3 and a molecular weight of 329.00 g/mol. Its IUPAC name is 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate.

Molecular Properties

Compound Name3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate
PubChem CID102044478
Molecular FormulaC15H28GeO3
Molecular Weight329.00 g/mol
Exact Mass330.13
IUPAC Name3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate
SMILESC=CC(CCCCC)(OC(=O)CC(C)=O)[Ge](C)(C)C
InChIInChI=1S/C15H28GeO3/c1-7-9-10-11-15(8-2,16(4,5)6)19-14(18)12-13(3)17/h8H,2,7,9-12H2,1,3-6H3
InChIKeyHDLXQHANPAXQJK-UHFFFAOYSA-N
XLogP3.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.00
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4,4-trimethylpent-1-en-3-yl 3-oxobutanoate
CID 121011559
bis(2,2,3-trimethyloctan-3-yl) propanedioate
CID 175226011
3-oxobutanoyl (Z)-2-oxo-3,3-di(propan-2-yl)henicos-12-enoate
CID 174490795
dodecyl 3-oxobutanoate;iridium(3+)
CID 159927112
tetradecyl 3-oxobutanoate
CID 3018053
[1-butoxy-2-(3-oxobutanoyloxy)propan-2-yl] 3-oxobutanoate
CID 88954093
3-ethenyl-3-ethylhexadecan-2-one
CID 87804881
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
ethene;methyl 2,2-diacetyloctadecanoate
CID 88843379
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
3-oxo-3-(2,2,3-trimethyloctan-3-yloxy)propanoic acid
CID 175226013
(3-bromo-3-methylbutyl) 3-oxobutanoate
CID 174962981

Frequently Asked Questions

What is the IUPAC name of 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate?
The IUPAC name of 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate (CID 102044478) is 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate.
What is the SMILES notation for 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate?
The canonical SMILES for 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate is C=CC(CCCCC)(OC(=O)CC(C)=O)[Ge](C)(C)C.
What is the InChIKey of 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate?
The InChIKey is HDLXQHANPAXQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28GeO3/c1-7-9-10-11-15(8-2,16(4,5)6)19-14(18)12-13(3)17/h8H,2,7,9-12H2,1,3-6H3.
What are the key properties of 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate?
3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate has a molecular weight of 329.00 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylgermyloct-1-en-3-yl 3-oxobutanoate is sourced from PubChem (CID 102044478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).