(6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid

C21H36O4 — CID 171904897

IUPAC(6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid
SMILESO=C(O)CCCC/C=C\CC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C21H36O4/c22-20(23)16-12-10-8-6-4-2-1-3-5-7-9-11-14-18-24-21-17-13-15-19-25-21/h3-6,21H,1-2,7-19H2,(H,22,23)/b5-3-,6-4-
InChIKeyCYTWCGUAZPXWQS-GLIMQPGKSA-N
MW352.52 g/mol
LogP5.63
Rot. Bonds15

About (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid

(6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid (PubChem CID 171904897) has the molecular formula C21H36O4 and a molecular weight of 352.52 g/mol. Its IUPAC name is (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid.

Molecular Properties

Compound Name(6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid
PubChem CID171904897
Molecular FormulaC21H36O4
Molecular Weight352.52 g/mol
Exact Mass352.26
IUPAC Name(6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid
SMILESO=C(O)CCCC/C=C\CC/C=C\CCCCCOC1CCCCO1
InChIInChI=1S/C21H36O4/c22-20(23)16-12-10-8-6-4-2-1-3-5-7-9-11-14-18-24-21-17-13-15-19-25-21/h3-6,21H,1-2,7-19H2,(H,22,23)/b5-3-,6-4-
InChIKeyCYTWCGUAZPXWQS-GLIMQPGKSA-N
XLogP5.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-10-(oxan-2-yloxy)dec-7-enoate
CID 102355071
(7z,11z)-18-(Tetrahydro-2h-pyran-2-yloxy)octadeca7,11-dienoic acid
CID 171904922
methyl (Z)-18-(oxan-2-yloxy)octadec-9-enoate
CID 11502142
(Z)-7,7-dimethyl-8-[(tetrahydro-2H-pyran-2-yl)oxy]-5-octenoic acid
CID 13276460
(Z)-16-(oxan-2-yloxy)hexadec-11-enoic acid
CID 53309256
4-(Oxan-2-yloxy)butyl octadec-9-enoate
CID 53834682
7,7-Dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid
CID 54492335
(Z)-4-[(2R)-oxan-2-yl]oxyhenicos-7-enoic acid
CID 67855755
(11Z,14Z)-3-(oxan-2-yloxy)icosa-11,14-dienoic acid
CID 67855759
3-(Oxan-2-yloxy)icosa-11,14-dienoic acid
CID 67855762
(Z)-4-[(2R)-oxan-2-yl]oxypentadec-7-enoic acid
CID 67855775
(Z,3S)-3-(oxan-2-yloxy)icos-11-enoic acid
CID 67855810

Frequently Asked Questions

What is the IUPAC name of (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid?
The IUPAC name of (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid (CID 171904897) is (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid.
What is the SMILES notation for (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid?
The canonical SMILES for (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid is O=C(O)CCCC/C=C\CC/C=C\CCCCCOC1CCCCO1.
What is the InChIKey of (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid?
The InChIKey is CYTWCGUAZPXWQS-GLIMQPGKSA-N. The full InChI is InChI=1S/C21H36O4/c22-20(23)16-12-10-8-6-4-2-1-3-5-7-9-11-14-18-24-21-17-13-15-19-25-21/h3-6,21H,1-2,7-19H2,(H,22,23)/b5-3-,6-4-.
What are the key properties of (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid?
(6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid has a molecular weight of 352.52 g/mol, XLogP of 5.63, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10Z)-16-(oxan-2-yloxy)hexadeca-6,10-dienoic acid is sourced from PubChem (CID 171904897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).