2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol

C10H21O3P — CID 129135019

IUPAC2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol
SMILESCC[C@@H]1CC(C)CP(=O)(OCCO)C1
InChIInChI=1S/C10H21O3P/c1-3-10-6-9(2)7-14(12,8-10)13-5-4-11/h9-11H,3-8H2,1-2H3/t9?,10-,14?/m1/s1
InChIKeyYBWATBFAKXDBEK-OPASDULOSA-N
MW220.25 g/mol
LogP2.34
Rot. Bonds4

About 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol

2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol (PubChem CID 129135019) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol
PubChem CID129135019
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol
SMILESCC[C@@H]1CC(C)CP(=O)(OCCO)C1
InChIInChI=1S/C10H21O3P/c1-3-10-6-9(2)7-14(12,8-10)13-5-4-11/h9-11H,3-8H2,1-2H3/t9?,10-,14?/m1/s1
InChIKeyYBWATBFAKXDBEK-OPASDULOSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.34
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

[(1R,3R,5R)-3-ethyl-5-methylcyclohexyl]methanol
CID 14940084
acetamide;1-ethyl-3-methylcyclobutane
CID 145484121
2-(3-methylcyclobutyl)ethanol
CID 59157244
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 83226491
1-ethyl-3-methylcyclopentane;methane
CID 144878558
4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
CID 20676438
5-ethyl-3-methylthiepane 1,1-dioxide
CID 137466910
methyl 3-ethyl-5-methylpiperidine-1-carboxylate
CID 172601898
2-hydroxyethyl N-[(4-ethylcyclohexyl)methyl]carbamate
CID 79345625
1-methoxy-3-methyl-1λ5-phospholane 1-oxide
CID 15682939
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol?
The IUPAC name of 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol (CID 129135019) is 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol?
The canonical SMILES for 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol is CC[C@@H]1CC(C)CP(=O)(OCCO)C1.
What is the InChIKey of 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol?
The InChIKey is YBWATBFAKXDBEK-OPASDULOSA-N. The full InChI is InChI=1S/C10H21O3P/c1-3-10-6-9(2)7-14(12,8-10)13-5-4-11/h9-11H,3-8H2,1-2H3/t9?,10-,14?/m1/s1.
What are the key properties of 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol?
2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol has a molecular weight of 220.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-ethyl-5-methyl-1-oxo-1λ5-phosphinan-1-yl]oxy]ethanol is sourced from PubChem (CID 129135019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).