hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium

C13H24O4P+ — CID 139864378

IUPAChydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium
SMILESC=C(C)C(=O)OCCCCCCCCC[P+](=O)O
InChIInChI=1S/C13H23O4P/c1-12(2)13(14)17-10-8-6-4-3-5-7-9-11-18(15)16/h1,3-11H2,2H3/p+1
InChIKeyLWRPJOMGPVTUFC-UHFFFAOYSA-O
MW275.30 g/mol
LogP3.57
Rot. Bonds11

About hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium

hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium (PubChem CID 139864378) has the molecular formula C13H24O4P+ and a molecular weight of 275.30 g/mol. Its IUPAC name is hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium
PubChem CID139864378
Molecular FormulaC13H24O4P+
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Namehydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium
SMILESC=C(C)C(=O)OCCCCCCCCC[P+](=O)O
InChIInChI=1S/C13H23O4P/c1-12(2)13(14)17-10-8-6-4-3-5-7-9-11-18(15)16/h1,3-11H2,2H3/p+1
InChIKeyLWRPJOMGPVTUFC-UHFFFAOYSA-O
XLogP3.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

hydroxy-[3-(2-methylprop-2-enoyloxy)propyl]-oxophosphanium
CID 139672807
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
CID 23389450
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
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
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
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
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
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium?
The IUPAC name of hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium (CID 139864378) is hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium?
The canonical SMILES for hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium is C=C(C)C(=O)OCCCCCCCCC[P+](=O)O.
What is the InChIKey of hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium?
The InChIKey is LWRPJOMGPVTUFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23O4P/c1-12(2)13(14)17-10-8-6-4-3-5-7-9-11-18(15)16/h1,3-11H2,2H3/p+1.
What are the key properties of hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium?
hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium has a molecular weight of 275.30 g/mol, XLogP of 3.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[9-(2-methylprop-2-enoyloxy)nonyl]-oxophosphanium is sourced from PubChem (CID 139864378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).