(2Z,4E)-6-methoxyhepta-2,4-diene

C8H14O — CID 58952970

IUPAC(2Z,4E)-6-methoxyhepta-2,4-diene
SMILESC/C=C\C=C\C(C)OC
InChIInChI=1S/C8H14O/c1-4-5-6-7-8(2)9-3/h4-8H,1-3H3/b5-4-,7-6+
InChIKeyAZTHOSPZOAGEHT-SCFJQAPRSA-N
MW126.20 g/mol
LogP2.15
Rot. Bonds3

About (2Z,4E)-6-methoxyhepta-2,4-diene

(2Z,4E)-6-methoxyhepta-2,4-diene (PubChem CID 58952970) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2Z,4E)-6-methoxyhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-6-methoxyhepta-2,4-diene
PubChem CID58952970
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2Z,4E)-6-methoxyhepta-2,4-diene
SMILESC/C=C\C=C\C(C)OC
InChIInChI=1S/C8H14O/c1-4-5-6-7-8(2)9-3/h4-8H,1-3H3/b5-4-,7-6+
InChIKeyAZTHOSPZOAGEHT-SCFJQAPRSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-methoxyhexa-1,3-diene
CID 13463245
[(3E,5E)-hepta-3,5-dien-2-yl]oxy-trimethylsilane
CID 13461076
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
hepta-3,5-dien-2-yl dihydrogen phosphate
CID 123655665
(3Z,5Z)-hepta-3,5-dien-2-amine
CID 139386653
1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene
CID 144748252
(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene
CID 88997135
(4E)-hexa-2,4-diene
CID 22435466
(3Z,5Z)-2-methylhepta-3,5-dien-1-amine
CID 89062139
(E,4S)-4-methoxypent-2-enenitrile
CID 100950692
(3E,6E,8E)-5-methyldeca-1,3,6,8-tetraene
CID 132576789
1-methoxy-4-[(4Z,6Z)-2-(4-methoxyphenyl)-3-methylocta-4,6-dien-2-yl]benzene
CID 134379210

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-methoxyhepta-2,4-diene?
The IUPAC name of (2Z,4E)-6-methoxyhepta-2,4-diene (CID 58952970) is (2Z,4E)-6-methoxyhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-6-methoxyhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-6-methoxyhepta-2,4-diene is C/C=C\C=C\C(C)OC.
What is the InChIKey of (2Z,4E)-6-methoxyhepta-2,4-diene?
The InChIKey is AZTHOSPZOAGEHT-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-6-7-8(2)9-3/h4-8H,1-3H3/b5-4-,7-6+.
What are the key properties of (2Z,4E)-6-methoxyhepta-2,4-diene?
(2Z,4E)-6-methoxyhepta-2,4-diene has a molecular weight of 126.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-methoxyhepta-2,4-diene is sourced from PubChem (CID 58952970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).