hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium

C7H14O4P+ — CID 14765238

IUPAChydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium
SMILESCC(C)(C)OC(=O)CC[P+](=O)O
InChIInChI=1S/C7H13O4P/c1-7(2,3)11-6(8)4-5-12(9)10/h4-5H2,1-3H3/p+1
InChIKeyCPVIANLDSDBOBF-UHFFFAOYSA-O
MW193.16 g/mol
LogP1.45
Rot. Bonds3

About hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium

hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium (PubChem CID 14765238) has the molecular formula C7H14O4P+ and a molecular weight of 193.16 g/mol. Its IUPAC name is hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium
PubChem CID14765238
Molecular FormulaC7H14O4P+
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Namehydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium
SMILESCC(C)(C)OC(=O)CC[P+](=O)O
InChIInChI=1S/C7H13O4P/c1-7(2,3)11-6(8)4-5-12(9)10/h4-5H2,1-3H3/p+1
InChIKeyCPVIANLDSDBOBF-UHFFFAOYSA-O
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl pentanedioate
CID 3016405
hydroxy-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-1-en-2-yl]-oxophosphanium
CID 71368925
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
CID 89305747
CID 89305747
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl heptanoate;dimethylphosphane
CID 175245603
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
tert-butyl pentanoate;hydrazine
CID 174371267
tert-butyl hex-4-enoate
CID 86102608

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium?
The IUPAC name of hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium (CID 14765238) is hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium?
The canonical SMILES for hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium is CC(C)(C)OC(=O)CC[P+](=O)O.
What is the InChIKey of hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium?
The InChIKey is CPVIANLDSDBOBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13O4P/c1-7(2,3)11-6(8)4-5-12(9)10/h4-5H2,1-3H3/p+1.
What are the key properties of hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium?
hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium has a molecular weight of 193.16 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-oxophosphanium is sourced from PubChem (CID 14765238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).