hydroxy-methyl-bis(prop-2-enoxy)phosphanium

C7H14O3P+ — CID 174720559

IUPAChydroxy-methyl-bis(prop-2-enoxy)phosphanium
SMILESC=CCO[P+](C)(O)OCC=C
InChIInChI=1S/C7H14O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-5,8H,1-2,6-7H2,3H3/q+1
InChIKeyJOTBJXACNXDRJR-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.78
Rot. Bonds6

About hydroxy-methyl-bis(prop-2-enoxy)phosphanium

hydroxy-methyl-bis(prop-2-enoxy)phosphanium (PubChem CID 174720559) has the molecular formula C7H14O3P+ and a molecular weight of 177.16 g/mol. Its IUPAC name is hydroxy-methyl-bis(prop-2-enoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-methyl-bis(prop-2-enoxy)phosphanium
PubChem CID174720559
Molecular FormulaC7H14O3P+
Molecular Weight177.16 g/mol
Exact Mass177.07
IUPAC Namehydroxy-methyl-bis(prop-2-enoxy)phosphanium
SMILESC=CCO[P+](C)(O)OCC=C
InChIInChI=1S/C7H14O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-5,8H,1-2,6-7H2,3H3/q+1
InChIKeyJOTBJXACNXDRJR-UHFFFAOYSA-N
XLogP1.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis(1-prop-2-enoxyethyl)azanium
CID 87092032
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
CID 161486686
3-prop-2-enoxybutane-1,2-diol
CID 14859753
(2S)-4-methyl-3-prop-2-enoxypentane-1,2-diol
CID 59911129
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
2,5-bis(prop-2-enoxy)hex-3-yne
CID 54201306
1-hydroxy-1-prop-2-enoxypropane-2-sulfonic acid
CID 91002893
1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol
CID 138664594
CID 58877383
CID 58877383
1-prop-2-enylperoxyethanol
CID 10077060
3-[fluoro(methoxy)methoxy]prop-1-ene
CID 174814514
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879

Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-bis(prop-2-enoxy)phosphanium?
The IUPAC name of hydroxy-methyl-bis(prop-2-enoxy)phosphanium (CID 174720559) is hydroxy-methyl-bis(prop-2-enoxy)phosphanium.
What is the SMILES notation for hydroxy-methyl-bis(prop-2-enoxy)phosphanium?
The canonical SMILES for hydroxy-methyl-bis(prop-2-enoxy)phosphanium is C=CCO[P+](C)(O)OCC=C.
What is the InChIKey of hydroxy-methyl-bis(prop-2-enoxy)phosphanium?
The InChIKey is JOTBJXACNXDRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3P/c1-4-6-9-11(3,8)10-7-5-2/h4-5,8H,1-2,6-7H2,3H3/q+1.
What are the key properties of hydroxy-methyl-bis(prop-2-enoxy)phosphanium?
hydroxy-methyl-bis(prop-2-enoxy)phosphanium has a molecular weight of 177.16 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-bis(prop-2-enoxy)phosphanium is sourced from PubChem (CID 174720559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).