16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid

C30H54O4 — CID 24996188

IUPAC16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid
SMILESCCOC1=C(C)C(C)CC=C1CCC(C)CCCC(C)CCCC(C)(O)CCCC(C)C(=O)O
InChIInChI=1S/C30H54O4/c1-8-34-28-26(6)24(4)17-19-27(28)18-16-23(3)13-9-12-22(2)14-10-20-30(7,33)21-11-15-25(5)29(31)32/h19,22-25,33H,8-18,20-21H2,1-7H3,(H,31,32)
InChIKeyAMEKGUUYCGQWIG-UHFFFAOYSA-N
MW478.76 g/mol
LogP8.30
Rot. Bonds18

About 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid

16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid (PubChem CID 24996188) has the molecular formula C30H54O4 and a molecular weight of 478.76 g/mol. Its IUPAC name is 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid.

Molecular Properties

Compound Name16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid
PubChem CID24996188
Molecular FormulaC30H54O4
Molecular Weight478.76 g/mol
Exact Mass478.40
IUPAC Name16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid
SMILESCCOC1=C(C)C(C)CC=C1CCC(C)CCCC(C)CCCC(C)(O)CCCC(C)C(=O)O
InChIInChI=1S/C30H54O4/c1-8-34-28-26(6)24(4)17-19-27(28)18-16-23(3)13-9-12-22(2)14-10-20-30(7,33)21-11-15-25(5)29(31)32/h19,22-25,33H,8-18,20-21H2,1-7H3,(H,31,32)
InChIKeyAMEKGUUYCGQWIG-UHFFFAOYSA-N
XLogP8.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid?
The IUPAC name of 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid (CID 24996188) is 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid.
What is the SMILES notation for 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid?
The canonical SMILES for 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid is CCOC1=C(C)C(C)CC=C1CCC(C)CCCC(C)CCCC(C)(O)CCCC(C)C(=O)O.
What is the InChIKey of 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid?
The InChIKey is AMEKGUUYCGQWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O4/c1-8-34-28-26(6)24(4)17-19-27(28)18-16-23(3)13-9-12-22(2)14-10-20-30(7,33)21-11-15-25(5)29(31)32/h19,22-25,33H,8-18,20-21H2,1-7H3,(H,31,32).
What are the key properties of 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid?
16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid has a molecular weight of 478.76 g/mol, XLogP of 8.30, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(6-ethoxy-4,5-dimethylcyclohexa-1,5-dien-1-yl)-6-hydroxy-2,6,10,14-tetramethylhexadecanoic acid is sourced from PubChem (CID 24996188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).