hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium

C14H26O5P+ — CID 23389450

IUPAChydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
SMILESC=C(C)C(=O)OCCCCCCCCCCO[P+](=O)O
InChIInChI=1S/C14H25O5P/c1-13(2)14(15)18-11-9-7-5-3-4-6-8-10-12-19-20(16)17/h1,3-12H2,2H3/p+1
InChIKeyWKOAHESLDDOZMG-UHFFFAOYSA-O
MW305.33 g/mol
LogP3.89
Rot. Bonds13

About hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium

hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium (PubChem CID 23389450) has the molecular formula C14H26O5P+ and a molecular weight of 305.33 g/mol. Its IUPAC name is hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
PubChem CID23389450
Molecular FormulaC14H26O5P+
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Namehydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
SMILESC=C(C)C(=O)OCCCCCCCCCCO[P+](=O)O
InChIInChI=1S/C14H25O5P/c1-13(2)14(15)18-11-9-7-5-3-4-6-8-10-12-19-20(16)17/h1,3-12H2,2H3/p+1
InChIKeyWKOAHESLDDOZMG-UHFFFAOYSA-O
XLogP3.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
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'}

Analyze hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium 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

ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium
CID 139864378
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium
CID 139672807
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
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
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
CID 174985776
CID 174985776
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

Frequently Asked Questions

What is the IUPAC name of hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium?
The IUPAC name of hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium (CID 23389450) is hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium is C=C(C)C(=O)OCCCCCCCCCCO[P+](=O)O.
What is the InChIKey of hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium?
The InChIKey is WKOAHESLDDOZMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H25O5P/c1-13(2)14(15)18-11-9-7-5-3-4-6-8-10-12-19-20(16)17/h1,3-12H2,2H3/p+1.
What are the key properties of hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium?
hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium has a molecular weight of 305.33 g/mol, XLogP of 3.89, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium is sourced from PubChem (CID 23389450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).