[(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate

C16H26O3 — CID 166792468

IUPAC[(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate
SMILESC/C=C/CC/C=C/C(CC)OC(=O)C(=O)C(C)CC
InChIInChI=1S/C16H26O3/c1-5-8-9-10-11-12-14(7-3)19-16(18)15(17)13(4)6-2/h5,8,11-14H,6-7,9-10H2,1-4H3/b8-5+,12-11+
InChIKeyLGPNQAQZXFWIPW-CQYWEGEGSA-N
MW266.38 g/mol
LogP3.84
Rot. Bonds9

About [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate

[(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate (PubChem CID 166792468) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate.

Molecular Properties

Compound Name[(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate
PubChem CID166792468
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name[(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate
SMILESC/C=C/CC/C=C/C(CC)OC(=O)C(=O)C(C)CC
InChIInChI=1S/C16H26O3/c1-5-8-9-10-11-12-14(7-3)19-16(18)15(17)13(4)6-2/h5,8,11-14H,6-7,9-10H2,1-4H3/b8-5+,12-11+
InChIKeyLGPNQAQZXFWIPW-CQYWEGEGSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate?
The IUPAC name of [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate (CID 166792468) is [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate.
What is the SMILES notation for [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate?
The canonical SMILES for [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate is C/C=C/CC/C=C/C(CC)OC(=O)C(=O)C(C)CC.
What is the InChIKey of [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate?
The InChIKey is LGPNQAQZXFWIPW-CQYWEGEGSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-8-9-10-11-12-14(7-3)19-16(18)15(17)13(4)6-2/h5,8,11-14H,6-7,9-10H2,1-4H3/b8-5+,12-11+.
What are the key properties of [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate?
[(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate has a molecular weight of 266.38 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,8E)-deca-4,8-dien-3-yl] 3-methyl-2-oxopentanoate is sourced from PubChem (CID 166792468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).