tert-butyl (3R)-3-acetyldec-9-enoate

C16H28O3 — CID 89305742

IUPACtert-butyl (3R)-3-acetyldec-9-enoate
SMILESC=CCCCCCC(CC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C16H28O3/c1-6-7-8-9-10-11-14(13(2)17)12-15(18)19-16(3,4)5/h6,14H,1,7-12H2,2-5H3
InChIKeyMBMOMSYJBBAKOC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.06
Rot. Bonds9

About tert-butyl (3R)-3-acetyldec-9-enoate

tert-butyl (3R)-3-acetyldec-9-enoate (PubChem CID 89305742) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-acetyldec-9-enoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-acetyldec-9-enoate
PubChem CID89305742
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nametert-butyl (3R)-3-acetyldec-9-enoate
SMILESC=CCCCCCC(CC(=O)OC(C)(C)C)C(C)=O
InChIInChI=1S/C16H28O3/c1-6-7-8-9-10-11-14(13(2)17)12-15(18)19-16(3,4)5/h6,14H,1,7-12H2,2-5H3
InChIKeyMBMOMSYJBBAKOC-UHFFFAOYSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-acetyldec-9-enoate?
The IUPAC name of tert-butyl (3R)-3-acetyldec-9-enoate (CID 89305742) is tert-butyl (3R)-3-acetyldec-9-enoate.
What is the SMILES notation for tert-butyl (3R)-3-acetyldec-9-enoate?
The canonical SMILES for tert-butyl (3R)-3-acetyldec-9-enoate is C=CCCCCCC(CC(=O)OC(C)(C)C)C(C)=O.
What is the InChIKey of tert-butyl (3R)-3-acetyldec-9-enoate?
The InChIKey is MBMOMSYJBBAKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-6-7-8-9-10-11-14(13(2)17)12-15(18)19-16(3,4)5/h6,14H,1,7-12H2,2-5H3.
What are the key properties of tert-butyl (3R)-3-acetyldec-9-enoate?
tert-butyl (3R)-3-acetyldec-9-enoate has a molecular weight of 268.40 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-acetyldec-9-enoate is sourced from PubChem (CID 89305742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).