(2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol

C10H16O2 — CID 89192083

IUPAC(2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol
SMILESC=C/C=C\C(OC)=C(/CC)CO
InChIInChI=1S/C10H16O2/c1-4-6-7-10(12-3)9(5-2)8-11/h4,6-7,11H,1,5,8H2,2-3H3/b7-6-,10-9-
InChIKeyWYHZQAWFANNILI-HZJYTTRNSA-N
MW168.24 g/mol
LogP2.03
Rot. Bonds5

About (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol

(2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol (PubChem CID 89192083) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol
PubChem CID89192083
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol
SMILESC=C/C=C\C(OC)=C(/CC)CO
InChIInChI=1S/C10H16O2/c1-4-6-7-10(12-3)9(5-2)8-11/h4,6-7,11H,1,5,8H2,2-3H3/b7-6-,10-9-
InChIKeyWYHZQAWFANNILI-HZJYTTRNSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.03
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'}

Analyze (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol?
The IUPAC name of (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol (CID 89192083) is (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol?
The canonical SMILES for (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol is C=C/C=C\C(OC)=C(/CC)CO.
What is the InChIKey of (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol?
The InChIKey is WYHZQAWFANNILI-HZJYTTRNSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-7-10(12-3)9(5-2)8-11/h4,6-7,11H,1,5,8H2,2-3H3/b7-6-,10-9-.
What are the key properties of (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol?
(2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol is sourced from PubChem (CID 89192083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).