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

C10H16O3 — CID 15261944

IUPAC[(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate
SMILESC/C=C\C(/C=C/C)OC(=O)COC
InChIInChI=1S/C10H16O3/c1-4-6-9(7-5-2)13-10(11)8-12-3/h4-7,9H,8H2,1-3H3/b6-4-,7-5+
InChIKeyKWZZWSPYEIMPQY-XGXWUAJZSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds5

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

[(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate (PubChem CID 15261944) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate
PubChem CID15261944
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate
SMILESC/C=C\C(/C=C/C)OC(=O)COC
InChIInChI=1S/C10H16O3/c1-4-6-9(7-5-2)13-10(11)8-12-3/h4-7,9H,8H2,1-3H3/b6-4-,7-5+
InChIKeyKWZZWSPYEIMPQY-XGXWUAJZSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-2-enyl lactate
CID 6366079
2-[(2E,6Z,9Z,12Z)-pentadeca-2,6,9,12-tetraenoxy]acetic acid
CID 44559943
2-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenoxy]acetic acid
CID 44559944
[(E)-hex-4-en-3-yl] acetate
CID 12015313
Methyl 2,5-dihydrofuran-2-carboxylate
CID 12634722
3-Oxaheneicosa-5,9,12,15,18-pentaenoic acid
CID 44584287
trans-2-Hexenyl lactate
CID 3020789
Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
CID 44149409
[(2S,3R)-2-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 134854496
[(3S,6S)-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 10910183
[(4E)-hexa-1,4-dien-3-yl] acetate
CID 11491947
[(3S)-3,6-dihydro-2H-pyran-3-yl] acetate
CID 12187917

Frequently Asked Questions

What is the IUPAC name of [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate?
The IUPAC name of [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate (CID 15261944) is [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate.
What is the SMILES notation for [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate?
The canonical SMILES for [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate is C/C=C\C(/C=C/C)OC(=O)COC.
What is the InChIKey of [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate?
The InChIKey is KWZZWSPYEIMPQY-XGXWUAJZSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-6-9(7-5-2)13-10(11)8-12-3/h4-7,9H,8H2,1-3H3/b6-4-,7-5+.
What are the key properties of [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate?
[(2Z,5E)-hepta-2,5-dien-4-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 [(2Z,5E)-hepta-2,5-dien-4-yl] 2-methoxyacetate is sourced from PubChem (CID 15261944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).