[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite

C9H18ClN2O2P — CID 15545941

IUPAC[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite
SMILESCC(C)N(C(C)C)P(OCl)OCCC#N
InChIInChI=1S/C9H18ClN2O2P/c1-8(2)12(9(3)4)15(14-10)13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyMVAKULKYITWDBT-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.43
Rot. Bonds7

About [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite

[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite (PubChem CID 15545941) has the molecular formula C9H18ClN2O2P and a molecular weight of 252.68 g/mol. Its IUPAC name is [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite.

Molecular Properties

Compound Name[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite
PubChem CID15545941
Molecular FormulaC9H18ClN2O2P
Molecular Weight252.68 g/mol
Exact Mass252.08
IUPAC Name[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite
SMILESCC(C)N(C(C)C)P(OCl)OCCC#N
InChIInChI=1S/C9H18ClN2O2P/c1-8(2)12(9(3)4)15(14-10)13-7-5-6-11/h8-9H,5,7H2,1-4H3
InChIKeyMVAKULKYITWDBT-UHFFFAOYSA-N
XLogP3.43
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite?
The IUPAC name of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite (CID 15545941) is [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite.
What is the SMILES notation for [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite?
The canonical SMILES for [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite is CC(C)N(C(C)C)P(OCl)OCCC#N.
What is the InChIKey of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite?
The InChIKey is MVAKULKYITWDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN2O2P/c1-8(2)12(9(3)4)15(14-10)13-7-5-6-11/h8-9H,5,7H2,1-4H3.
What are the key properties of [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite?
[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite has a molecular weight of 252.68 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl] hypochlorite is sourced from PubChem (CID 15545941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).