19-ethoxy-19-methylhexacosa-6,9-diene

C29H56O — CID 91048578

IUPAC19-ethoxy-19-methylhexacosa-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCCC(C)(CCCCCCC)OCC
InChIInChI=1S/C29H56O/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(4,30-7-3)27-25-23-11-9-6-2/h13-14,16-17H,5-12,15,18-28H2,1-4H3
InChIKeyGIHIGJIUOMQRGX-UHFFFAOYSA-N
MW420.77 g/mol
LogP10.35
Rot. Bonds23

About 19-ethoxy-19-methylhexacosa-6,9-diene

19-ethoxy-19-methylhexacosa-6,9-diene (PubChem CID 91048578) has the molecular formula C29H56O and a molecular weight of 420.77 g/mol. Its IUPAC name is 19-ethoxy-19-methylhexacosa-6,9-diene.

Molecular Properties

Compound Name19-ethoxy-19-methylhexacosa-6,9-diene
PubChem CID91048578
Molecular FormulaC29H56O
Molecular Weight420.77 g/mol
Exact Mass420.43
IUPAC Name19-ethoxy-19-methylhexacosa-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCCC(C)(CCCCCCC)OCC
InChIInChI=1S/C29H56O/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(4,30-7-3)27-25-23-11-9-6-2/h13-14,16-17H,5-12,15,18-28H2,1-4H3
InChIKeyGIHIGJIUOMQRGX-UHFFFAOYSA-N
XLogP10.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.77
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 19-ethoxy-19-methylhexacosa-6,9-diene?
The IUPAC name of 19-ethoxy-19-methylhexacosa-6,9-diene (CID 91048578) is 19-ethoxy-19-methylhexacosa-6,9-diene.
What is the SMILES notation for 19-ethoxy-19-methylhexacosa-6,9-diene?
The canonical SMILES for 19-ethoxy-19-methylhexacosa-6,9-diene is CCCCCC=CCC=CCCCCCCCCC(C)(CCCCCCC)OCC.
What is the InChIKey of 19-ethoxy-19-methylhexacosa-6,9-diene?
The InChIKey is GIHIGJIUOMQRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(4,30-7-3)27-25-23-11-9-6-2/h13-14,16-17H,5-12,15,18-28H2,1-4H3.
What are the key properties of 19-ethoxy-19-methylhexacosa-6,9-diene?
19-ethoxy-19-methylhexacosa-6,9-diene has a molecular weight of 420.77 g/mol, XLogP of 10.35, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-ethoxy-19-methylhexacosa-6,9-diene is sourced from PubChem (CID 91048578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).