2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid

C19H33O6P — CID 54070061

IUPAC2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCCC(O)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C19H33O6P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-19(22,18(20)21)26(23,24)25/h9-10,13,22H,5-8,11-12,14H2,1-4H3,(H,20,21)(H2,23,24,25)
InChIKeyMFUMIJMSCQHAKF-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.53
Rot. Bonds12

About 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid

2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid (PubChem CID 54070061) has the molecular formula C19H33O6P and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid.

Molecular Properties

Compound Name2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid
PubChem CID54070061
Molecular FormulaC19H33O6P
Molecular Weight388.44 g/mol
Exact Mass388.20
IUPAC Name2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCCC(O)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C19H33O6P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-19(22,18(20)21)26(23,24)25/h9-10,13,22H,5-8,11-12,14H2,1-4H3,(H,20,21)(H2,23,24,25)
InChIKeyMFUMIJMSCQHAKF-UHFFFAOYSA-N
XLogP4.53
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphoryl]formic acid
CID 11824066
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
(4E,8E,12E,16E,20E)-2-hydroxy-2,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaenoic acid
CID 176897325
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
2-hydroxy-2-(hydroxymethyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 173203965
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E,10E)-7,11,15-trimethyl-2-(phosphonomethyl)hexadeca-6,10,14-trienoic acid
CID 22404035
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
5,9,13-trimethyl-2-phosphonotetradeca-4,8,12-trienoic acid
CID 54211421

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid?
The IUPAC name of 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid (CID 54070061) is 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid.
What is the SMILES notation for 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid?
The canonical SMILES for 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid is CC(C)=CCCC(C)=CCCC(C)=CCCCC(O)(C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid?
The InChIKey is MFUMIJMSCQHAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O6P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-19(22,18(20)21)26(23,24)25/h9-10,13,22H,5-8,11-12,14H2,1-4H3,(H,20,21)(H2,23,24,25).
What are the key properties of 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid?
2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid has a molecular weight of 388.44 g/mol, XLogP of 4.53, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid is sourced from PubChem (CID 54070061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).