chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane

C9H17ClN2O2P2 — CID 163663485

IUPACchloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane
SMILES[C-]#[N+]CCOP(C)C.[C-]#[N+]CCOP(C)Cl
InChIInChI=1S/C5H10NOP.C4H7ClNOP/c1-6-4-5-7-8(2)3;1-6-3-4-7-8(2)5/h4-5H2,2-3H3;3-4H2,2H3
InChIKeyIWJDWBUIOAQJHV-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.68
Rot. Bonds6

About chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane

chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane (PubChem CID 163663485) has the molecular formula C9H17ClN2O2P2 and a molecular weight of 282.65 g/mol. Its IUPAC name is chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane.

Molecular Properties

Compound Namechloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane
PubChem CID163663485
Molecular FormulaC9H17ClN2O2P2
Molecular Weight282.65 g/mol
Exact Mass282.05
IUPAC Namechloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane
SMILES[C-]#[N+]CCOP(C)C.[C-]#[N+]CCOP(C)Cl
InChIInChI=1S/C5H10NOP.C4H7ClNOP/c1-6-4-5-7-8(2)3;1-6-3-4-7-8(2)5/h4-5H2,2-3H3;3-4H2,2H3
InChIKeyIWJDWBUIOAQJHV-UHFFFAOYSA-N
XLogP3.68
TPSA27.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane?
The IUPAC name of chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane (CID 163663485) is chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane.
What is the SMILES notation for chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane?
The canonical SMILES for chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane is [C-]#[N+]CCOP(C)C.[C-]#[N+]CCOP(C)Cl.
What is the InChIKey of chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane?
The InChIKey is IWJDWBUIOAQJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOP.C4H7ClNOP/c1-6-4-5-7-8(2)3;1-6-3-4-7-8(2)5/h4-5H2,2-3H3;3-4H2,2H3.
What are the key properties of chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane?
chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane has a molecular weight of 282.65 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane is sourced from PubChem (CID 163663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).