2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium

C7H14O6P+ — CID 175510991

IUPAC2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium
SMILESCC(C)(C)COC(=O)OCO[P+](=O)O
InChIInChI=1S/C7H13O6P/c1-7(2,3)4-11-6(8)12-5-13-14(9)10/h4-5H2,1-3H3/p+1
InChIKeyHTMDUNURGUIXNX-UHFFFAOYSA-O
MW225.16 g/mol
LogP1.81
Rot. Bonds4

About 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium

2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium (PubChem CID 175510991) has the molecular formula C7H14O6P+ and a molecular weight of 225.16 g/mol. Its IUPAC name is 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium
PubChem CID175510991
Molecular FormulaC7H14O6P+
Molecular Weight225.16 g/mol
Exact Mass225.05
IUPAC Name2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium
SMILESCC(C)(C)COC(=O)OCO[P+](=O)O
InChIInChI=1S/C7H13O6P/c1-7(2,3)4-11-6(8)12-5-13-14(9)10/h4-5H2,1-3H3/p+1
InChIKeyHTMDUNURGUIXNX-UHFFFAOYSA-O
XLogP1.81
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropyl iodomethyl carbonate
CID 23449228
2-chloroethyl 2,2-dimethylpropyl carbonate
CID 91693115
2,2-dimethylpropyl carboniodidate
CID 71320370
hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium
CID 130434432
2,2-dimethylpropyl acetate
CID 13552
2,2-dimethylpropyl 2-methylbutyl carbonate
CID 91695775
hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium
CID 174761402
butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
CID 118588536
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2,2-dimethylpropoxycarbonylcarbamic acid
CID 141398884
bis(2,2-dimethylpropyl) (Z)-but-2-enedioate
CID 87865540
2,2-dimethylpropyl (2,4,6-trichlorophenyl) carbonate
CID 91691495

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium?
The IUPAC name of 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium (CID 175510991) is 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium is CC(C)(C)COC(=O)OCO[P+](=O)O.
What is the InChIKey of 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium?
The InChIKey is HTMDUNURGUIXNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13O6P/c1-7(2,3)4-11-6(8)12-5-13-14(9)10/h4-5H2,1-3H3/p+1.
What are the key properties of 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium?
2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium has a molecular weight of 225.16 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175510991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).