ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene

C20H38O2 — CID 143806673

IUPACethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene
SMILESCC.CCOCCCCCCCCC1=C(C)CCC(OC)=C1
InChIInChI=1S/C18H32O2.C2H6/c1-4-20-14-10-8-6-5-7-9-11-17-15-18(19-3)13-12-16(17)2;1-2/h15H,4-14H2,1-3H3;1-2H3
InChIKeyGQCZGALTFHUYSI-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.42
Rot. Bonds11

About ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene

ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene (PubChem CID 143806673) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene
PubChem CID143806673
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Nameethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene
SMILESCC.CCOCCCCCCCCC1=C(C)CCC(OC)=C1
InChIInChI=1S/C18H32O2.C2H6/c1-4-20-14-10-8-6-5-7-9-11-17-15-18(19-3)13-12-16(17)2;1-2/h15H,4-14H2,1-3H3;1-2H3
InChIKeyGQCZGALTFHUYSI-UHFFFAOYSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-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 ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene (CID 143806673) is ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene is CC.CCOCCCCCCCCC1=C(C)CCC(OC)=C1.
What is the InChIKey of ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene?
The InChIKey is GQCZGALTFHUYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2.C2H6/c1-4-20-14-10-8-6-5-7-9-11-17-15-18(19-3)13-12-16(17)2;1-2/h15H,4-14H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene?
ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene has a molecular weight of 310.52 g/mol, XLogP of 6.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143806673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).