(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol

C8H12O2 — CID 89344777

IUPAC(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
SMILESC=C/C=C(\C=C/CO)OC
InChIInChI=1S/C8H12O2/c1-3-5-8(10-2)6-4-7-9/h3-6,9H,1,7H2,2H3/b6-4-,8-5+
InChIKeyIYJFBFBSVSGCDF-QXMOYCCXSA-N
MW140.18 g/mol
LogP1.25
Rot. Bonds4

About (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol

(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol (PubChem CID 89344777) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
PubChem CID89344777
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
SMILESC=C/C=C(\C=C/CO)OC
InChIInChI=1S/C8H12O2/c1-3-5-8(10-2)6-4-7-9/h3-6,9H,1,7H2,2H3/b6-4-,8-5+
InChIKeyIYJFBFBSVSGCDF-QXMOYCCXSA-N
XLogP1.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol?
The IUPAC name of (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol (CID 89344777) is (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol?
The canonical SMILES for (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol is C=C/C=C(\C=C/CO)OC.
What is the InChIKey of (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol?
The InChIKey is IYJFBFBSVSGCDF-QXMOYCCXSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-5-8(10-2)6-4-7-9/h3-6,9H,1,7H2,2H3/b6-4-,8-5+.
What are the key properties of (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol?
(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol has a molecular weight of 140.18 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol is sourced from PubChem (CID 89344777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).