(6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate

C15H28O6P+ — CID 90836035

IUPAC(6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.COC(=O)CCCCCO[P+](C)=O
InChIInChI=1S/C8H16O4P.C7H12O2/c1-11-8(9)6-4-3-5-7-12-13(2)10;1-4-5-9-7(8)6(2)3/h3-7H2,1-2H3;2,4-5H2,1,3H3/q+1;
InChIKeyATWFHZJEBYFCPR-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.62
Rot. Bonds10

About (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate

(6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate (PubChem CID 90836035) has the molecular formula C15H28O6P+ and a molecular weight of 335.36 g/mol. Its IUPAC name is (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate
PubChem CID90836035
Molecular FormulaC15H28O6P+
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name(6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.COC(=O)CCCCCO[P+](C)=O
InChIInChI=1S/C8H16O4P.C7H12O2/c1-11-8(9)6-4-3-5-7-12-13(2)10;1-4-5-9-7(8)6(2)3/h3-7H2,1-2H3;2,4-5H2,1,3H3/q+1;
InChIKeyATWFHZJEBYFCPR-UHFFFAOYSA-N
XLogP3.62
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 157240660
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
azane;propyl 2-methylprop-2-enoate
CID 172812841
hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
CID 23389450
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 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 164995054
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
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
hydroxy-[2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]-6-oxohexoxy]butan-2-yl]-oxophosphanium
CID 88952296

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate?
The IUPAC name of (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate (CID 90836035) is (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate.
What is the SMILES notation for (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate?
The canonical SMILES for (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.COC(=O)CCCCCO[P+](C)=O.
What is the InChIKey of (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate?
The InChIKey is ATWFHZJEBYFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4P.C7H12O2/c1-11-8(9)6-4-3-5-7-12-13(2)10;1-4-5-9-7(8)6(2)3/h3-7H2,1-2H3;2,4-5H2,1,3H3/q+1;.
What are the key properties of (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate?
(6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate has a molecular weight of 335.36 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-6-oxohexoxy)-methyl-oxophosphanium;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 90836035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).