(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene

C14H18O — CID 130219587

IUPAC(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
SMILESC=C/C=C(\C=C/C)C(/C=C\OC)=C/C=C
InChIInChI=1S/C14H18O/c1-5-8-13(9-6-2)14(10-7-3)11-12-15-4/h5-12H,1,3H2,2,4H3/b9-6-,12-11-,13-8+,14-10+
InChIKeyMZAZTIAHLKNLIJ-DLCRERAHSA-N
MW202.30 g/mol
LogP3.95
Rot. Bonds6

About (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene

(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene (PubChem CID 130219587) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
PubChem CID130219587
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
SMILESC=C/C=C(\C=C/C)C(/C=C\OC)=C/C=C
InChIInChI=1S/C14H18O/c1-5-8-13(9-6-2)14(10-7-3)11-12-15-4/h5-12H,1,3H2,2,4H3/b9-6-,12-11-,13-8+,14-10+
InChIKeyMZAZTIAHLKNLIJ-DLCRERAHSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
(4E)-4-[(Z)-2-methoxyethenyl]hepta-4,6-dien-1-yn-3-one
CID 145244673
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 142041463
methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene
CID 142416242

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene (CID 130219587) is (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene is C=C/C=C(\C=C/C)C(/C=C\OC)=C/C=C.
What is the InChIKey of (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
The InChIKey is MZAZTIAHLKNLIJ-DLCRERAHSA-N. The full InChI is InChI=1S/C14H18O/c1-5-8-13(9-6-2)14(10-7-3)11-12-15-4/h5-12H,1,3H2,2,4H3/b9-6-,12-11-,13-8+,14-10+.
What are the key properties of (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene has a molecular weight of 202.30 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene is sourced from PubChem (CID 130219587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).