[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate

C10H16O2 — CID 15624868

IUPAC[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate
SMILESC/C=C(C)/C=C/COC(=O)CC
InChIInChI=1S/C10H16O2/c1-4-9(3)7-6-8-12-10(11)5-2/h4,6-7H,5,8H2,1-3H3/b7-6+,9-4+
InChIKeyVCDLZGCVPGHKGS-PIAAQLDDSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds4

About [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate

[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate (PubChem CID 15624868) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate.

Molecular Properties

Compound Name[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate
PubChem CID15624868
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate
SMILESC/C=C(C)/C=C/COC(=O)CC
InChIInChI=1S/C10H16O2/c1-4-9(3)7-6-8-12-10(11)5-2/h4,6-7H,5,8H2,1-3H3/b7-6+,9-4+
InChIKeyVCDLZGCVPGHKGS-PIAAQLDDSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (E)-4-propanoyloxybut-2-enoate
CID 15402795
propan-2-one;prop-2-enyl propanoate
CID 174904905
penta-2,4-dienyl propanoate
CID 54073728
azane;prop-2-enyl propanoate
CID 87729437
chloromethane;prop-2-enyl propanoate
CID 174815872
[(E)-3-triethoxysilylprop-2-enyl] propanoate
CID 101209443
[(2E,4E)-4-methylocta-2,4-dienyl] acetate
CID 21472571
[(3E,5E)-2,4-dimethylocta-3,5-dienyl] propanoate
CID 101283001
2-hydrazinylideneethyl propanoate
CID 174347476
[(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate
CID 145491478
[(2E,4E)-3,5-dimethylocta-2,4-dienyl] propanoate
CID 101283079
[(Z)-3-methyl-5-propanoyloxypent-3-enyl] propanoate
CID 146216389

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate?
The IUPAC name of [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate (CID 15624868) is [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate.
What is the SMILES notation for [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate?
The canonical SMILES for [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate is C/C=C(C)/C=C/COC(=O)CC.
What is the InChIKey of [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate?
The InChIKey is VCDLZGCVPGHKGS-PIAAQLDDSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-9(3)7-6-8-12-10(11)5-2/h4,6-7H,5,8H2,1-3H3/b7-6+,9-4+.
What are the key properties of [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate?
[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-4-methylhexa-2,4-dienyl] propanoate is sourced from PubChem (CID 15624868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).