[(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate

C10H16O3 — CID 134994965

IUPAC[(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate
SMILESC/C=C\C=C\C(C)OC(=O)COC
InChIInChI=1S/C10H16O3/c1-4-5-6-7-9(2)13-10(11)8-12-3/h4-7,9H,8H2,1-3H3/b5-4-,7-6+
InChIKeyXVEFVZSPMYNJEL-SCFJQAPRSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds5

About [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate

[(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate (PubChem CID 134994965) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate
PubChem CID134994965
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate
SMILESC/C=C\C=C\C(C)OC(=O)COC
InChIInChI=1S/C10H16O3/c1-4-5-6-7-9(2)13-10(11)8-12-3/h4-7,9H,8H2,1-3H3/b5-4-,7-6+
InChIKeyXVEFVZSPMYNJEL-SCFJQAPRSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,5-dihydrofuran-2-carboxylate
CID 12634722
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
[(3E,5Z)-hepta-3,5-dien-2-yl] acetate
CID 12755489
[(3E)-hexa-3,5-dien-2-yl] acetate
CID 10997114
Carbethoxypyran
CID 129813797
prop-2-enyl 2-[(Z)-hex-3-enoxy]acetate
CID 87470273
methyl (2S,6R)-2-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10820815
propan-2-yl (Z)-2-[(E)-hex-2-enoxy]but-2-enoate
CID 11020594
propan-2-yl (Z)-2-[(Z)-hex-2-enoxy]but-2-enoate
CID 11096306
[(3E,5E)-deca-3,5-dien-2-yl] acetate
CID 12755498
[(3E,5Z)-deca-3,5-dien-2-yl] acetate
CID 12755499
propan-2-yl 2-[(E)-but-2-enoxy]acetate
CID 13665204

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate?
The IUPAC name of [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate (CID 134994965) is [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate.
What is the SMILES notation for [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate?
The canonical SMILES for [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate is C/C=C\C=C\C(C)OC(=O)COC.
What is the InChIKey of [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate?
The InChIKey is XVEFVZSPMYNJEL-SCFJQAPRSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-5-6-7-9(2)13-10(11)8-12-3/h4-7,9H,8H2,1-3H3/b5-4-,7-6+.
What are the key properties of [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate?
[(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-3,5-dien-2-yl] 2-methoxyacetate is sourced from PubChem (CID 134994965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).