(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine

C23H48NO5P — CID 158348067

IUPAC(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCOP(OC1C[C@H](C)O[C@@H]1CC)N(C(C)C)C(C)C.CC[C@H]1O[C@@H](C)CC1O
InChIInChI=1S/C16H34NO3P.C7H14O2/c1-8-10-18-21(17(12(3)4)13(5)6)20-16-11-14(7)19-15(16)9-2;1-3-7-6(8)4-5(2)9-7/h12-16H,8-11H2,1-7H3;5-8H,3-4H2,1-2H3/t14-,15+,16?,21?;5-,6?,7+/m00/s1
InChIKeyGRZCWVBYRSGUJO-DTZUOHJISA-N
MW449.61 g/mol
LogP5.67
Rot. Bonds10

About (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine

(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 158348067) has the molecular formula C23H48NO5P and a molecular weight of 449.61 g/mol. Its IUPAC name is (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID158348067
Molecular FormulaC23H48NO5P
Molecular Weight449.61 g/mol
Exact Mass449.33
IUPAC Name(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCCCOP(OC1C[C@H](C)O[C@@H]1CC)N(C(C)C)C(C)C.CC[C@H]1O[C@@H](C)CC1O
InChIInChI=1S/C16H34NO3P.C7H14O2/c1-8-10-18-21(17(12(3)4)13(5)6)20-16-11-14(7)19-15(16)9-2;1-3-7-6(8)4-5(2)9-7/h12-16H,8-11H2,1-7H3;5-8H,3-4H2,1-2H3/t14-,15+,16?,21?;5-,6?,7+/m00/s1
InChIKeyGRZCWVBYRSGUJO-DTZUOHJISA-N
XLogP5.67
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.61
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate
CID 91587230
CID 160962043
CID 160962043
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2S,5R)-2-ethyl-5-methyloxolan-3-ol;hydrate
CID 91272276
3-[[di(propan-2-yl)amino]-[(3R,4R)-2-ethyl-4-hydroxy-5-methyloxolan-3-yl]oxyphosphanyl]oxypropanenitrile
CID 58590317
dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane
CID 58528140
3-[[di(propan-2-yl)amino]-[(2S,3R,5S)-2-ethyl-5-(5-isocyano-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxypropanenitrile;3-[[di(propan-2-yl)amino]-methylphosphanyl]oxypropanenitrile;1-[(2S,4R,5S)-5-ethyl-4-hydroxyoxolan-2-yl]-5-isocyanopyrimidine-2,4-dione
CID 158211513
(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
CID 162112123
CID 162112123
(2S,5S)-2-[[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxymethyl]-N,5-dimethyloxolan-3-amine;methane
CID 158424911
S-[2-[2-[[di(propan-2-yl)amino]-[2-ethyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphanyl]oxyethoxy]ethyl] propanethioate
CID 91397501
CID 161445098
CID 161445098

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine (CID 158348067) is (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine is CCCOP(OC1C[C@H](C)O[C@@H]1CC)N(C(C)C)C(C)C.CC[C@H]1O[C@@H](C)CC1O.
What is the InChIKey of (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is GRZCWVBYRSGUJO-DTZUOHJISA-N. The full InChI is InChI=1S/C16H34NO3P.C7H14O2/c1-8-10-18-21(17(12(3)4)13(5)6)20-16-11-14(7)19-15(16)9-2;1-3-7-6(8)4-5(2)9-7/h12-16H,8-11H2,1-7H3;5-8H,3-4H2,1-2H3/t14-,15+,16?,21?;5-,6?,7+/m00/s1.
What are the key properties of (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine?
(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 449.61 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 158348067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).