[(4Z,7Z)-trideca-4,7-dien-2-yl] acetate

C15H26O2 — CID 91749862

IUPAC[(4Z,7Z)-trideca-4,7-dien-2-yl] acetate
SMILESCCCCC/C=C\C/C=C\CC(C)OC(C)=O
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h8-9,11-12,14H,4-7,10,13H2,1-3H3/b9-8-,12-11-
InChIKeyWBTCMXVCGSBLBM-MURFETPASA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds9

About [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate

[(4Z,7Z)-trideca-4,7-dien-2-yl] acetate (PubChem CID 91749862) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate.

Molecular Properties

Compound Name[(4Z,7Z)-trideca-4,7-dien-2-yl] acetate
PubChem CID91749862
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(4Z,7Z)-trideca-4,7-dien-2-yl] acetate
SMILESCCCCC/C=C\C/C=C\CC(C)OC(C)=O
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h8-9,11-12,14H,4-7,10,13H2,1-3H3/b9-8-,12-11-
InChIKeyWBTCMXVCGSBLBM-MURFETPASA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
trideca-1,4,7-trienyl acetate
CID 151112026
[(2S,3S,5E,9Z)-2-aminohexadeca-5,9-dien-3-yl] acetate
CID 102043855
[(1E,4E)-dodeca-1,4-dienyl] acetate
CID 171363895
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 141440294
decan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
CID 174941829
[1-[(12Z,15Z,18Z)-hexacosa-12,15,18-trienoxy]-3-hydroxypropan-2-yl] acetate
CID 164507495
[(E)-1-acetyloxyoct-2-enyl] acetate
CID 88547351
[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl] 2-methylpropanoate
CID 58579153

Frequently Asked Questions

What is the IUPAC name of [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate?
The IUPAC name of [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate (CID 91749862) is [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate.
What is the SMILES notation for [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate?
The canonical SMILES for [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate is CCCCC/C=C\C/C=C\CC(C)OC(C)=O.
What is the InChIKey of [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate?
The InChIKey is WBTCMXVCGSBLBM-MURFETPASA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h8-9,11-12,14H,4-7,10,13H2,1-3H3/b9-8-,12-11-.
What are the key properties of [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate?
[(4Z,7Z)-trideca-4,7-dien-2-yl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,7Z)-trideca-4,7-dien-2-yl] acetate is sourced from PubChem (CID 91749862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).