7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane

C25H51O2P — CID 155378083

IUPAC7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane
SMILESCCCCCCCC(/C=C/P(C)(=O)OC(C)CCCCCC)CCCCCC
InChIInChI=1S/C25H51O2P/c1-6-9-12-15-18-21-25(20-17-14-11-8-3)22-23-28(5,26)27-24(4)19-16-13-10-7-2/h22-25H,6-21H2,1-5H3/b23-22+
InChIKeyTYUNZOJYLYYQGM-GHVJWSGMSA-N
MW414.66 g/mol
LogP9.73
Rot. Bonds20

About 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane

7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane (PubChem CID 155378083) has the molecular formula C25H51O2P and a molecular weight of 414.66 g/mol. Its IUPAC name is 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane.

Molecular Properties

Compound Name7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane
PubChem CID155378083
Molecular FormulaC25H51O2P
Molecular Weight414.66 g/mol
Exact Mass414.36
IUPAC Name7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane
SMILESCCCCCCCC(/C=C/P(C)(=O)OC(C)CCCCCC)CCCCCC
InChIInChI=1S/C25H51O2P/c1-6-9-12-15-18-21-25(20-17-14-11-8-3)22-23-28(5,26)27-24(4)19-16-13-10-7-2/h22-25H,6-21H2,1-5H3/b23-22+
InChIKeyTYUNZOJYLYYQGM-GHVJWSGMSA-N
XLogP9.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane?
The IUPAC name of 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane (CID 155378083) is 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane.
What is the SMILES notation for 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane?
The canonical SMILES for 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane is CCCCCCCC(/C=C/P(C)(=O)OC(C)CCCCCC)CCCCCC.
What is the InChIKey of 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane?
The InChIKey is TYUNZOJYLYYQGM-GHVJWSGMSA-N. The full InChI is InChI=1S/C25H51O2P/c1-6-9-12-15-18-21-25(20-17-14-11-8-3)22-23-28(5,26)27-24(4)19-16-13-10-7-2/h22-25H,6-21H2,1-5H3/b23-22+.
What are the key properties of 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane?
7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane has a molecular weight of 414.66 g/mol, XLogP of 9.73, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-[methyl(octan-2-yloxy)phosphoryl]ethenyl]tetradecane is sourced from PubChem (CID 155378083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).