6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene

C24H42O2 — CID 139905508

IUPAC6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene
SMILESCCCCCCCCCCCOC=CC1(CCC)C=CC=CC1OCC
InChIInChI=1S/C24H42O2/c1-4-7-8-9-10-11-12-13-16-21-25-22-20-24(18-5-2)19-15-14-17-23(24)26-6-3/h14-15,17,19-20,22-23H,4-13,16,18,21H2,1-3H3
InChIKeyOUBMTDOGMBTMPJ-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.37
Rot. Bonds16

About 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene

6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene (PubChem CID 139905508) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene
PubChem CID139905508
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene
SMILESCCCCCCCCCCCOC=CC1(CCC)C=CC=CC1OCC
InChIInChI=1S/C24H42O2/c1-4-7-8-9-10-11-12-13-16-21-25-22-20-24(18-5-2)19-15-14-17-23(24)26-6-3/h14-15,17,19-20,22-23H,4-13,16,18,21H2,1-3H3
InChIKeyOUBMTDOGMBTMPJ-UHFFFAOYSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene?
The IUPAC name of 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene (CID 139905508) is 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene is CCCCCCCCCCCOC=CC1(CCC)C=CC=CC1OCC.
What is the InChIKey of 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene?
The InChIKey is OUBMTDOGMBTMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-4-7-8-9-10-11-12-13-16-21-25-22-20-24(18-5-2)19-15-14-17-23(24)26-6-3/h14-15,17,19-20,22-23H,4-13,16,18,21H2,1-3H3.
What are the key properties of 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene?
6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene has a molecular weight of 362.60 g/mol, XLogP of 7.37, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-propyl-5-(2-undecoxyethenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 139905508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).