hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium

C8H14O5P+ — CID 174761125

IUPAChydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium
SMILESC=CC(=O)OC(C)CC(C)O[P+](=O)O
InChIInChI=1S/C8H13O5P/c1-4-8(9)12-6(2)5-7(3)13-14(10)11/h4,6-7H,1,5H2,2-3H3/p+1
InChIKeyDJCBXMFJZWWSIM-UHFFFAOYSA-O
MW221.17 g/mol
LogP1.55
Rot. Bonds6

About hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium

hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium (PubChem CID 174761125) has the molecular formula C8H14O5P+ and a molecular weight of 221.17 g/mol. Its IUPAC name is hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium
PubChem CID174761125
Molecular FormulaC8H14O5P+
Molecular Weight221.17 g/mol
Exact Mass221.06
IUPAC Namehydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium
SMILESC=CC(=O)OC(C)CC(C)O[P+](=O)O
InChIInChI=1S/C8H13O5P/c1-4-8(9)12-6(2)5-7(3)13-14(10)11/h4,6-7H,1,5H2,2-3H3/p+1
InChIKeyDJCBXMFJZWWSIM-UHFFFAOYSA-O
XLogP1.55
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium 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

6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-methylpent-4-en-2-yl prop-2-enoate
CID 102248237
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
4-prop-2-enoyloxynonan-2-yl prop-2-enoate
CID 102116709
4-prop-2-enoyloxypentanoic acid
CID 87568780
sodium 4-oxobutan-2-yl prop-2-enoate
CID 161109002
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium?
The IUPAC name of hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium (CID 174761125) is hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium is C=CC(=O)OC(C)CC(C)O[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium?
The InChIKey is DJCBXMFJZWWSIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13O5P/c1-4-8(9)12-6(2)5-7(3)13-14(10)11/h4,6-7H,1,5H2,2-3H3/p+1.
What are the key properties of hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium?
hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium has a molecular weight of 221.17 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(4-prop-2-enoyloxypentan-2-yloxy)phosphanium is sourced from PubChem (CID 174761125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).