2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid

C20H32O2 — CID 90939600

IUPAC2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid
SMILESCC=CCCC=CCCC=CCC(C)(C)C(C)=C(C)C(=O)O
InChIInChI=1S/C20H32O2/c1-6-7-8-9-10-11-12-13-14-15-16-20(4,5)18(3)17(2)19(21)22/h6-7,10-11,14-15H,8-9,12-13,16H2,1-5H3,(H,21,22)
InChIKeyULYXHEADRNIXJH-UHFFFAOYSA-N
MW304.47 g/mol
LogP6.07
Rot. Bonds10

About 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid

2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid (PubChem CID 90939600) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid.

Molecular Properties

Compound Name2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid
PubChem CID90939600
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid
SMILESCC=CCCC=CCCC=CCC(C)(C)C(C)=C(C)C(=O)O
InChIInChI=1S/C20H32O2/c1-6-7-8-9-10-11-12-13-14-15-16-20(4,5)18(3)17(2)19(21)22/h6-7,10-11,14-15H,8-9,12-13,16H2,1-5H3,(H,21,22)
InChIKeyULYXHEADRNIXJH-UHFFFAOYSA-N
XLogP6.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-dimethyldeca-4,8-dienoate
CID 141012028
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
acetic acid;(E)-hex-2-ene
CID 174958018
2,2-bis[(E)-but-2-enyl]propanedioic acid
CID 21490489
2-ethyl-2-methylhex-4-enoic acid
CID 123449987
(Z,2E)-2-ethylidenehept-5-enoic acid
CID 101190230
2,2,4-trimethylicosa-6,10,14,18-tetraen-3-one
CID 141425986
sodium;hept-5-enoic acid;hydride
CID 174384913
2,2-dimethyldodeca-4,6,10-trien-3-one
CID 149435269
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The IUPAC name of 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid (CID 90939600) is 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid.
What is the SMILES notation for 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The canonical SMILES for 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid is CC=CCCC=CCCC=CCC(C)(C)C(C)=C(C)C(=O)O.
What is the InChIKey of 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
The InChIKey is ULYXHEADRNIXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-6-7-8-9-10-11-12-13-14-15-16-20(4,5)18(3)17(2)19(21)22/h6-7,10-11,14-15H,8-9,12-13,16H2,1-5H3,(H,21,22).
What are the key properties of 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid?
2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid has a molecular weight of 304.47 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethylhexadeca-2,6,10,14-tetraenoic acid is sourced from PubChem (CID 90939600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).