5-phosphonooxytetradecyl 2-methylprop-2-enoate

C18H35O6P — CID 141087689

IUPAC5-phosphonooxytetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(CCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C18H35O6P/c1-4-5-6-7-8-9-10-13-17(24-25(20,21)22)14-11-12-15-23-18(19)16(2)3/h17H,2,4-15H2,1,3H3,(H2,20,21,22)
InChIKeyYFCOSNIQLHNNJX-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.89
Rot. Bonds16

About 5-phosphonooxytetradecyl 2-methylprop-2-enoate

5-phosphonooxytetradecyl 2-methylprop-2-enoate (PubChem CID 141087689) has the molecular formula C18H35O6P and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-phosphonooxytetradecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-phosphonooxytetradecyl 2-methylprop-2-enoate
PubChem CID141087689
Molecular FormulaC18H35O6P
Molecular Weight378.45 g/mol
Exact Mass378.22
IUPAC Name5-phosphonooxytetradecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(CCCCCCCCC)OP(=O)(O)O
InChIInChI=1S/C18H35O6P/c1-4-5-6-7-8-9-10-13-17(24-25(20,21)22)14-11-12-15-23-18(19)16(2)3/h17H,2,4-15H2,1,3H3,(H2,20,21,22)
InChIKeyYFCOSNIQLHNNJX-UHFFFAOYSA-N
XLogP4.89
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phosphonooxynonyl 2-methylprop-2-enoate
CID 158195608
trimethyl-[9-(2-methylprop-2-enoyloxy)-3-phosphonooxynonyl]azanium
CID 22608897
trimethyl-[9-(2-methylprop-2-enoyloxy)-4-phosphonooxynonyl]azanium
CID 22608904
[7-(2-methylprop-2-enoyloxy)-4-phosphonooxyheptyl]-tripropylazanium
CID 87326902
dodecyl-[6-(2-methylprop-2-enoyloxy)hexyl]phosphinic acid
CID 139843857
4-(2-methylprop-2-enoyloxy)butyl-octadecylphosphinic acid
CID 139843904
dodecyl-[5-(2-methylprop-2-enoyloxy)pentyl]phosphinic acid
CID 139843900
dodecyl-[8-(2-methylprop-2-enoyloxy)octyl]phosphinic acid
CID 139843858
pentadecan-6-yl dihydrogen phosphate
CID 22719349
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
octatetracontyl 2-methylprop-2-enoate
CID 141233444
dotriacontan-16-yl dihydrogen phosphate
CID 87532136

Frequently Asked Questions

What is the IUPAC name of 5-phosphonooxytetradecyl 2-methylprop-2-enoate?
The IUPAC name of 5-phosphonooxytetradecyl 2-methylprop-2-enoate (CID 141087689) is 5-phosphonooxytetradecyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-phosphonooxytetradecyl 2-methylprop-2-enoate?
The canonical SMILES for 5-phosphonooxytetradecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC(CCCCCCCCC)OP(=O)(O)O.
What is the InChIKey of 5-phosphonooxytetradecyl 2-methylprop-2-enoate?
The InChIKey is YFCOSNIQLHNNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35O6P/c1-4-5-6-7-8-9-10-13-17(24-25(20,21)22)14-11-12-15-23-18(19)16(2)3/h17H,2,4-15H2,1,3H3,(H2,20,21,22).
What are the key properties of 5-phosphonooxytetradecyl 2-methylprop-2-enoate?
5-phosphonooxytetradecyl 2-methylprop-2-enoate has a molecular weight of 378.45 g/mol, XLogP of 4.89, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phosphonooxytetradecyl 2-methylprop-2-enoate is sourced from PubChem (CID 141087689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).