[(2Z,5Z)-hepta-2,5-dien-4-yl] acetate

C9H14O2 — CID 12755485

IUPAC[(2Z,5Z)-hepta-2,5-dien-4-yl] acetate
SMILESC/C=C\C(/C=C\C)OC(C)=O
InChIInChI=1S/C9H14O2/c1-4-6-9(7-5-2)11-8(3)10/h4-7,9H,1-3H3/b6-4-,7-5-
InChIKeyRFXUVPXXOMWVJC-PEPZGXQESA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds3

About [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate

[(2Z,5Z)-hepta-2,5-dien-4-yl] acetate (PubChem CID 12755485) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate.

Molecular Properties

Compound Name[(2Z,5Z)-hepta-2,5-dien-4-yl] acetate
PubChem CID12755485
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(2Z,5Z)-hepta-2,5-dien-4-yl] acetate
SMILESC/C=C\C(/C=C\C)OC(C)=O
InChIInChI=1S/C9H14O2/c1-4-6-9(7-5-2)11-8(3)10/h4-7,9H,1-3H3/b6-4-,7-5-
InChIKeyRFXUVPXXOMWVJC-PEPZGXQESA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2-pentenoic acid gamma-lactone
CID 11558
2-Hexenyl acetate, (2E)-
CID 2733294
2-Hexenyl propionate, (2E)-
CID 5352463
Ethyl trans-2-hexenoate
CID 5364778
2-Heptenyl acetate, (2E)-
CID 5363203
5-ethyl-2(5H)-furanone
CID 16997
2-Octen-1-yl acetate, (2E)-
CID 5463875
Nonadienyl acetate, (2E,6Z)-
CID 5363120
Oct-2-enyl acetate
CID 102248
Ethyl pent-2-enoate
CID 102263
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819
Ethyl hex-2-enoate
CID 519129

Frequently Asked Questions

What is the IUPAC name of [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate?
The IUPAC name of [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate (CID 12755485) is [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate.
What is the SMILES notation for [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate?
The canonical SMILES for [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate is C/C=C\C(/C=C\C)OC(C)=O.
What is the InChIKey of [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate?
The InChIKey is RFXUVPXXOMWVJC-PEPZGXQESA-N. The full InChI is InChI=1S/C9H14O2/c1-4-6-9(7-5-2)11-8(3)10/h4-7,9H,1-3H3/b6-4-,7-5-.
What are the key properties of [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate?
[(2Z,5Z)-hepta-2,5-dien-4-yl] acetate has a molecular weight of 154.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,5Z)-hepta-2,5-dien-4-yl] acetate is sourced from PubChem (CID 12755485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).