bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium

C7H16O6P+ — CID 87966512

IUPACbis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium
SMILESCC(C)=CO[P+](CO)(OCO)OCO
InChIInChI=1S/C7H16O6P/c1-7(2)3-11-14(6-10,12-4-8)13-5-9/h3,8-10H,4-6H2,1-2H3/q+1
InChIKeyJLPFFRCTBRNLAE-UHFFFAOYSA-N
MW227.17 g/mol
LogP0.57
Rot. Bonds7

About bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium

bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium (PubChem CID 87966512) has the molecular formula C7H16O6P+ and a molecular weight of 227.17 g/mol. Its IUPAC name is bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium.

Molecular Properties

Compound Namebis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium
PubChem CID87966512
Molecular FormulaC7H16O6P+
Molecular Weight227.17 g/mol
Exact Mass227.07
IUPAC Namebis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium
SMILESCC(C)=CO[P+](CO)(OCO)OCO
InChIInChI=1S/C7H16O6P/c1-7(2)3-11-14(6-10,12-4-8)13-5-9/h3,8-10H,4-6H2,1-2H3/q+1
InChIKeyJLPFFRCTBRNLAE-UHFFFAOYSA-N
XLogP0.57
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy-bis(hydroxymethoxy)-(hydroxymethyl)phosphanium
CID 175079644
1-(hydroxymethoxy)ethoxymethanol
CID 87328336
2-methylprop-1-enoxymethanediol
CID 154411235
2-(2-methylprop-1-enyl)propane-1,3-diol
CID 15717631
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
3-(2-hydroxy-2,5-dimethylhex-4-en-3-yl)oxypropane-1,2-diol
CID 174900159
1-methoxyethoxymethanol
CID 19047944
(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957
1-methoxy-2-methylprop-1-ene;hydrofluoride
CID 174504436
2,3-dimethylbutan-1-ol;2-methylbut-2-ene
CID 159485541
(2S)-2-ethoxybutan-1-ol
CID 89167253

Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium?
The IUPAC name of bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium (CID 87966512) is bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium.
What is the SMILES notation for bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium?
The canonical SMILES for bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium is CC(C)=CO[P+](CO)(OCO)OCO.
What is the InChIKey of bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium?
The InChIKey is JLPFFRCTBRNLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6P/c1-7(2)3-11-14(6-10,12-4-8)13-5-9/h3,8-10H,4-6H2,1-2H3/q+1.
What are the key properties of bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium?
bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium has a molecular weight of 227.17 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium is sourced from PubChem (CID 87966512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).