trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane

C7H19O3P — CID 87879267

IUPACtrihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane
SMILESCC(C)CP(O)(O)(O)C(C)C
InChIInChI=1S/C7H19O3P/c1-6(2)5-11(8,9,10)7(3)4/h6-10H,5H2,1-4H3
InChIKeyMZJVTHZDTSUKGJ-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.33
Rot. Bonds3

About trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane

trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane (PubChem CID 87879267) has the molecular formula C7H19O3P and a molecular weight of 182.20 g/mol. Its IUPAC name is trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane.

Molecular Properties

Compound Nametrihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane
PubChem CID87879267
Molecular FormulaC7H19O3P
Molecular Weight182.20 g/mol
Exact Mass182.11
IUPAC Nametrihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane
SMILESCC(C)CP(O)(O)(O)C(C)C
InChIInChI=1S/C7H19O3P/c1-6(2)5-11(8,9,10)7(3)4/h6-10H,5H2,1-4H3
InChIKeyMZJVTHZDTSUKGJ-UHFFFAOYSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diisobutylphosphinic acid
CID 10233207
Diisobutylphosphorous acid
CID 57009988
Dipropylphosphorous acid
CID 57010229
Diisopropylphosphorous acid
CID 57021697
Di-t-butylphosphorous acid
CID 57131912
Dibutylphosphorous acid
CID 57270779
Tert-butyl(propan-2-yl)phosphinic acid
CID 117771730
Methyl(2-methylpropyl)phosphinic acid
CID 22446925
t-Butyl(isopropyl)phosphinous acid
CID 12507381
Diisopentylphosphorous acid
CID 129813493
Bis(2-methylpropyl)phosphinous acid
CID 15180441
2-Methylpropylphosphonous acid
CID 19090922

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane?
The IUPAC name of trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane (CID 87879267) is trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane.
What is the SMILES notation for trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane?
The canonical SMILES for trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane is CC(C)CP(O)(O)(O)C(C)C.
What is the InChIKey of trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane?
The InChIKey is MZJVTHZDTSUKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19O3P/c1-6(2)5-11(8,9,10)7(3)4/h6-10H,5H2,1-4H3.
What are the key properties of trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane?
trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane has a molecular weight of 182.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2-methylpropyl)-propan-2-yl-λ5-phosphane is sourced from PubChem (CID 87879267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).