[(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate

C15H24O4 — CID 101262182

IUPAC[(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate
SMILESC=CC[C@H](/C=C/C[C@@H](CCC)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O4/c1-5-8-14(18-12(3)16)10-7-11-15(9-6-2)19-13(4)17/h5,7,10,14-15H,1,6,8-9,11H2,2-4H3/b10-7+/t14-,15-/m1/s1
InChIKeyVNOFMGLMDAVAQK-FSQQNCNXSA-N
MW268.35 g/mol
LogP3.17
Rot. Bonds9

About [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate

[(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate (PubChem CID 101262182) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate.

Molecular Properties

Compound Name[(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate
PubChem CID101262182
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate
SMILESC=CC[C@H](/C=C/C[C@@H](CCC)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O4/c1-5-8-14(18-12(3)16)10-7-11-15(9-6-2)19-13(4)17/h5,7,10,14-15H,1,6,8-9,11H2,2-4H3/b10-7+/t14-,15-/m1/s1
InChIKeyVNOFMGLMDAVAQK-FSQQNCNXSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(313C)heptan-4-yl acetate
CID 117065532
prop-2-enyl (2E,4S)-4-acetyloxyhepta-2,6-dienoate
CID 125476687
undec-1-en-3-yl acetate
CID 3023472
1-bromopentan-2-yl acetate
CID 14264119
[(3S)-1-oxotetradecan-3-yl] acetate
CID 118532907
dodeca-1,3-dien-5-yl acetate
CID 90996679
18-oxononadeca-9,11-dien-7-yl acetate
CID 76539171
18-hydroxyoctadec-9-en-7-yl acetate
CID 154089470
[(Z)-18-hydroxyoctadec-9-en-7-yl] acetate
CID 102090399
nonacosa-1,28-dien-15-yl acetate
CID 101064980
non-1-en-4-yl propanoate
CID 139804434
[(2R)-pent-4-en-2-yl] acetate
CID 11040717

Frequently Asked Questions

What is the IUPAC name of [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate?
The IUPAC name of [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate (CID 101262182) is [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate.
What is the SMILES notation for [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate?
The canonical SMILES for [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate is C=CC[C@H](/C=C/C[C@@H](CCC)OC(C)=O)OC(C)=O.
What is the InChIKey of [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate?
The InChIKey is VNOFMGLMDAVAQK-FSQQNCNXSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-8-14(18-12(3)16)10-7-11-15(9-6-2)19-13(4)17/h5,7,10,14-15H,1,6,8-9,11H2,2-4H3/b10-7+/t14-,15-/m1/s1.
What are the key properties of [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate?
[(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate has a molecular weight of 268.35 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6E,8R)-8-acetyloxyundeca-6,10-dien-4-yl] acetate is sourced from PubChem (CID 101262182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).