2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene

C19H34O2 — CID 144520875

IUPAC2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)OCCOC1=CCC(C(C)(C)CC(C)(C)C)C=C1
InChIInChI=1S/C19H34O2/c1-15(2)20-12-13-21-17-10-8-16(9-11-17)19(6,7)14-18(3,4)5/h8,10-11,15-16H,9,12-14H2,1-7H3
InChIKeyFZOAHOFOVIGSCF-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.35
Rot. Bonds7

About 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene

2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene (PubChem CID 144520875) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene
PubChem CID144520875
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene
SMILESCC(C)OCCOC1=CCC(C(C)(C)CC(C)(C)C)C=C1
InChIInChI=1S/C19H34O2/c1-15(2)20-12-13-21-17-10-8-16(9-11-17)19(6,7)14-18(3,4)5/h8,10-11,15-16H,9,12-14H2,1-7H3
InChIKeyFZOAHOFOVIGSCF-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene 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 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene (CID 144520875) is 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene is CC(C)OCCOC1=CCC(C(C)(C)CC(C)(C)C)C=C1.
What is the InChIKey of 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
The InChIKey is FZOAHOFOVIGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-15(2)20-12-13-21-17-10-8-16(9-11-17)19(6,7)14-18(3,4)5/h8,10-11,15-16H,9,12-14H2,1-7H3.
What are the key properties of 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene?
2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene has a molecular weight of 294.48 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethoxy)-5-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 144520875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).