5-acetyloxydeca-3,9-dienyl acetate

C14H22O4 — CID 88786521

IUPAC5-acetyloxydeca-3,9-dienyl acetate
SMILESC=CCCCC(C=CCCOC(C)=O)OC(C)=O
InChIInChI=1S/C14H22O4/c1-4-5-6-9-14(18-13(3)16)10-7-8-11-17-12(2)15/h4,7,10,14H,1,5-6,8-9,11H2,2-3H3
InChIKeyRCIOYMZNOWTOGJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.78
Rot. Bonds9

About 5-acetyloxydeca-3,9-dienyl acetate

5-acetyloxydeca-3,9-dienyl acetate (PubChem CID 88786521) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-acetyloxydeca-3,9-dienyl acetate.

Molecular Properties

Compound Name5-acetyloxydeca-3,9-dienyl acetate
PubChem CID88786521
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name5-acetyloxydeca-3,9-dienyl acetate
SMILESC=CCCCC(C=CCCOC(C)=O)OC(C)=O
InChIInChI=1S/C14H22O4/c1-4-5-6-9-14(18-13(3)16)10-7-8-11-17-12(2)15/h4,7,10,14H,1,5-6,8-9,11H2,2-3H3
InChIKeyRCIOYMZNOWTOGJ-UHFFFAOYSA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyloxyhex-5-enyl acetate
CID 15000176
3-acetyloxypent-4-enyl acetate
CID 12815001
[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320
hex-5-enyl acetate
CID 537536
7-oxohept-1-en-3-yl acetate
CID 11052076
nonadec-18-enyl acetate
CID 87443633
pentadec-14-enyl acetate
CID 87443745
nonacosa-1,28-dien-15-yl acetate
CID 101064980
[(3S)-14-oxotetradec-1-en-3-yl] acetate
CID 102173042
undec-1-en-3-yl acetate
CID 3023472
6-iodohex-1-en-3-yl acetate
CID 10858470
tetradeca-4,6,13-trienyl acetate
CID 162896966

Frequently Asked Questions

What is the IUPAC name of 5-acetyloxydeca-3,9-dienyl acetate?
The IUPAC name of 5-acetyloxydeca-3,9-dienyl acetate (CID 88786521) is 5-acetyloxydeca-3,9-dienyl acetate.
What is the SMILES notation for 5-acetyloxydeca-3,9-dienyl acetate?
The canonical SMILES for 5-acetyloxydeca-3,9-dienyl acetate is C=CCCCC(C=CCCOC(C)=O)OC(C)=O.
What is the InChIKey of 5-acetyloxydeca-3,9-dienyl acetate?
The InChIKey is RCIOYMZNOWTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-5-6-9-14(18-13(3)16)10-7-8-11-17-12(2)15/h4,7,10,14H,1,5-6,8-9,11H2,2-3H3.
What are the key properties of 5-acetyloxydeca-3,9-dienyl acetate?
5-acetyloxydeca-3,9-dienyl acetate has a molecular weight of 254.33 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloxydeca-3,9-dienyl acetate is sourced from PubChem (CID 88786521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).