7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid

C19H31O5P — CID 54030979

IUPAC7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CC=CCC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C19H31O5P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19(20)21)25(22,23)24/h5-6,9-10,13,18H,7-8,11-12,14H2,1-4H3,(H,20,21)(H2,22,23,24)
InChIKeyLFONYKLFQCLQFV-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.98
Rot. Bonds11

About 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid

7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid (PubChem CID 54030979) has the molecular formula C19H31O5P and a molecular weight of 370.43 g/mol. Its IUPAC name is 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid.

Molecular Properties

Compound Name7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid
PubChem CID54030979
Molecular FormulaC19H31O5P
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CC=CCC(C(=O)O)P(=O)(O)O
InChIInChI=1S/C19H31O5P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19(20)21)25(22,23)24/h5-6,9-10,13,18H,7-8,11-12,14H2,1-4H3,(H,20,21)(H2,22,23,24)
InChIKeyLFONYKLFQCLQFV-UHFFFAOYSA-N
XLogP4.98
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6E,10E)-7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid
CID 19382818
5,9,13-trimethyl-2-phosphonotetradeca-4,8,12-trienoic acid
CID 54211421
6,10,14-trimethylpentadeca-3,5,9,13-tetraenoic acid
CID 88635558
5,9,13-trimethyl-2-(phosphonomethyl)tetradeca-4,8,12-trienoic acid
CID 54543904
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
6,10,14,18-tetramethylnonadeca-3,5,9,13,17-pentaen-2-one
CID 54479411
(6E,10E)-7,11,15-trimethyl-2-(phosphonomethyl)hexadeca-6,10,14-trienoic acid
CID 22404035
carbonic acid;3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaene
CID 173093653
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
(10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
CID 162342692
(2E,4E,6E,10E)-7,11,15-trimethyl-3-(111C)methylhexadeca-2,4,6,10,14-pentaenoic acid
CID 170653107

Frequently Asked Questions

What is the IUPAC name of 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid?
The IUPAC name of 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid (CID 54030979) is 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid.
What is the SMILES notation for 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid?
The canonical SMILES for 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid is CC(C)=CCCC(C)=CCCC(C)=CC=CCC(C(=O)O)P(=O)(O)O.
What is the InChIKey of 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid?
The InChIKey is LFONYKLFQCLQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31O5P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19(20)21)25(22,23)24/h5-6,9-10,13,18H,7-8,11-12,14H2,1-4H3,(H,20,21)(H2,22,23,24).
What are the key properties of 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid?
7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid has a molecular weight of 370.43 g/mol, XLogP of 4.98, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,15-trimethyl-2-phosphonohexadeca-4,6,10,14-tetraenoic acid is sourced from PubChem (CID 54030979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).