2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol

C7H16ClO3P — CID 87958899

IUPAC2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol
SMILESCC(C)(C)COP(Cl)OCCO
InChIInChI=1S/C7H16ClO3P/c1-7(2,3)6-11-12(8)10-5-4-9/h9H,4-6H2,1-3H3
InChIKeyIERDZWDQUXSVSZ-UHFFFAOYSA-N
MW214.63 g/mol
LogP2.52
Rot. Bonds5

About 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol

2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol (PubChem CID 87958899) has the molecular formula C7H16ClO3P and a molecular weight of 214.63 g/mol. Its IUPAC name is 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol.

Molecular Properties

Compound Name2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol
PubChem CID87958899
Molecular FormulaC7H16ClO3P
Molecular Weight214.63 g/mol
Exact Mass214.05
IUPAC Name2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol
SMILESCC(C)(C)COP(Cl)OCCO
InChIInChI=1S/C7H16ClO3P/c1-7(2,3)6-11-12(8)10-5-4-9/h9H,4-6H2,1-3H3
InChIKeyIERDZWDQUXSVSZ-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.52
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

chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol
CID 87958894
2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol
CID 88867821
dibutoxy(chloro)phosphane
CID 4231195
2-hydroxyethyl dimethyl phosphite
CID 23414613
2-[2-(2-methoxy-2-methylpropoxy)ethoxy]ethanol
CID 174420073
4-O-(2,2-dimethylpropyl) 1-O-(2-hydroxyethyl) (Z)-but-2-enedioate
CID 88604721
2-[2-[chloro-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methylpropoxy]ethanol
CID 137471459
2-hydroxyethyl methyl hydrogen phosphite
CID 23415062
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
1-[2-(2-hydroxyethoxy)ethoxy]-2-[[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl]amino]propan-2-ol
CID 87314889
2-chloro-2-(2-hydroxyethoxy)propanal
CID 141321956

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol?
The IUPAC name of 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol (CID 87958899) is 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol.
What is the SMILES notation for 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol?
The canonical SMILES for 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol is CC(C)(C)COP(Cl)OCCO.
What is the InChIKey of 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol?
The InChIKey is IERDZWDQUXSVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClO3P/c1-7(2,3)6-11-12(8)10-5-4-9/h9H,4-6H2,1-3H3.
What are the key properties of 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol?
2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol has a molecular weight of 214.63 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(2,2-dimethylpropoxy)phosphanyl]oxyethanol is sourced from PubChem (CID 87958899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).