dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane

C5H13O3P — CID 58221077

IUPACdihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane
SMILESC=P(O)(O)OC(C)(C)C
InChIInChI=1S/C5H13O3P/c1-5(2,3)8-9(4,6)7/h6-7H,4H2,1-3H3
InChIKeyKDYKDVKLRFKCAG-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.98
Rot. Bonds1

About dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane

dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane (PubChem CID 58221077) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane
PubChem CID58221077
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Namedihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane
SMILESC=P(O)(O)OC(C)(C)C
InChIInChI=1S/C5H13O3P/c1-5(2,3)8-9(4,6)7/h6-7H,4H2,1-3H3
InChIKeyKDYKDVKLRFKCAG-UHFFFAOYSA-N
XLogP0.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 131873404
CID 131873404
chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
CID 150961079
2-[fluoro(methyl)phosphoryl]oxy-2-methylpropane
CID 567264
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
dihydroxy-methyl-methylidene-λ5-phosphane
CID 18339287
tert-butyl methoxy hydrogen phosphate
CID 172731458
tert-butyl ethynyl hydrogen phosphate
CID 175106066
N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid
CID 146414807
ditert-butyl [hydroxy(phosphonooxy)phosphoryl] phosphate;neodymium
CID 87733443
2-[tert-butyl-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropane
CID 87128310
1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
CID 19814535
zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)
CID 87788943

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane?
The IUPAC name of dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane (CID 58221077) is dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane.
What is the SMILES notation for dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane?
The canonical SMILES for dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane is C=P(O)(O)OC(C)(C)C.
What is the InChIKey of dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane?
The InChIKey is KDYKDVKLRFKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-5(2,3)8-9(4,6)7/h6-7H,4H2,1-3H3.
What are the key properties of dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane?
dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane has a molecular weight of 152.13 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methylidene-[(2-methylpropan-2-yl)oxy]-λ5-phosphane is sourced from PubChem (CID 58221077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).