(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene

C12H20O — CID 88543617

IUPAC(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
SMILESC=C(/C=C\C(=C/C)CC)OC(C)C
InChIInChI=1S/C12H20O/c1-6-12(7-2)9-8-11(5)13-10(3)4/h6,8-10H,5,7H2,1-4H3/b9-8-,12-6-
InChIKeyYMSIQKIKOFGSOR-GNXJPQOPSA-N
MW180.29 g/mol
LogP3.84
Rot. Bonds5

About (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene

(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene (PubChem CID 88543617) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
PubChem CID88543617
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
SMILESC=C(/C=C\C(=C/C)CC)OC(C)C
InChIInChI=1S/C12H20O/c1-6-12(7-2)9-8-11(5)13-10(3)4/h6,8-10H,5,7H2,1-4H3/b9-8-,12-6-
InChIKeyYMSIQKIKOFGSOR-GNXJPQOPSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.84
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'}

Analyze (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene 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 (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene (CID 88543617) is (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene is C=C(/C=C\C(=C/C)CC)OC(C)C.
What is the InChIKey of (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene?
The InChIKey is YMSIQKIKOFGSOR-GNXJPQOPSA-N. The full InChI is InChI=1S/C12H20O/c1-6-12(7-2)9-8-11(5)13-10(3)4/h6,8-10H,5,7H2,1-4H3/b9-8-,12-6-.
What are the key properties of (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene?
(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene has a molecular weight of 180.29 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene is sourced from PubChem (CID 88543617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).