ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane

C5H12NO4P — CID 150777207

IUPACethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane
SMILESCCP(O)(O)(O)CCN=C=O
InChIInChI=1S/C5H12NO4P/c1-2-11(8,9,10)4-3-6-5-7/h8-10H,2-4H2,1H3
InChIKeyODHNMKZRUFVGFF-UHFFFAOYSA-N
MW181.13 g/mol
LogP-0.38
Rot. Bonds4

About ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane

ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane (PubChem CID 150777207) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane.

Molecular Properties

Compound Nameethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane
PubChem CID150777207
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Nameethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane
SMILESCCP(O)(O)(O)CCN=C=O
InChIInChI=1S/C5H12NO4P/c1-2-11(8,9,10)4-3-6-5-7/h8-10H,2-4H2,1H3
InChIKeyODHNMKZRUFVGFF-UHFFFAOYSA-N
XLogP-0.38
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,2-diisocyanatoethane;hydrazine
CID 155127889
1-isocyanatodotriacontane
CID 87857577
2-isocyanatoethyl 2-methylidenebutanoate
CID 87903090
5-butyl-1,5-diisocyanatononane
CID 87324424
triethyl(2-isocyanatoethyl)silane
CID 87128357
3-ethyl-1,5-diisocyanatopentane
CID 18990756
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
isocyanatoethane;silane
CID 174792418
1,15-diisocyanatopentadecane
CID 14454785
carbonic acid;isocyanatoethane
CID 159798113
carbonic acid;isocyanatoethane
CID 135150871

Frequently Asked Questions

What is the IUPAC name of ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane?
The IUPAC name of ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane (CID 150777207) is ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane.
What is the SMILES notation for ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane?
The canonical SMILES for ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane is CCP(O)(O)(O)CCN=C=O.
What is the InChIKey of ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane?
The InChIKey is ODHNMKZRUFVGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-2-11(8,9,10)4-3-6-5-7/h8-10H,2-4H2,1H3.
What are the key properties of ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane?
ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane has a molecular weight of 181.13 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-trihydroxy-(2-isocyanatoethyl)-λ5-phosphane is sourced from PubChem (CID 150777207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).