(1-chloroethylideneamino) dipentyl phosphate

C12H25ClNO4P — CID 71335704

IUPAC(1-chloroethylideneamino) dipentyl phosphate
SMILESCCCCCOP(=O)(OCCCCC)ON=C(C)Cl
InChIInChI=1S/C12H25ClNO4P/c1-4-6-8-10-16-19(15,18-14-12(3)13)17-11-9-7-5-2/h4-11H2,1-3H3
InChIKeyRHFZYKVGAJPSMF-UHFFFAOYSA-N
MW313.76 g/mol
LogP5.10
Rot. Bonds12

About (1-chloroethylideneamino) dipentyl phosphate

(1-chloroethylideneamino) dipentyl phosphate (PubChem CID 71335704) has the molecular formula C12H25ClNO4P and a molecular weight of 313.76 g/mol. Its IUPAC name is (1-chloroethylideneamino) dipentyl phosphate.

Molecular Properties

Compound Name(1-chloroethylideneamino) dipentyl phosphate
PubChem CID71335704
Molecular FormulaC12H25ClNO4P
Molecular Weight313.76 g/mol
Exact Mass313.12
IUPAC Name(1-chloroethylideneamino) dipentyl phosphate
SMILESCCCCCOP(=O)(OCCCCC)ON=C(C)Cl
InChIInChI=1S/C12H25ClNO4P/c1-4-6-8-10-16-19(15,18-14-12(3)13)17-11-9-7-5-2/h4-11H2,1-3H3
InChIKeyRHFZYKVGAJPSMF-UHFFFAOYSA-N
XLogP5.10
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.76
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(dipropyloxyphosphoryloxy)ethanimidoylchloride
CID 23417986
(1-Chloroethylideneamino) bis(2-methylpropyl) phosphate
CID 71335703
N-(dihexoxyphosphoryloxy)ethanimidoylchloride
CID 129780277
N-(di-s-butoxyphosphoryloxy)ethanimidoylchloride
CID 129780633
N-(diisopropyloxyphosphoryloxy)ethanimidoylchloride
CID 129780789
dibutyl [(Z)-1-chloroethylideneamino] phosphate
CID 134994909
dibutyl [(E)-1,2-dichloroethylideneamino] phosphate
CID 10358608
[(E)-1-chlorobutylideneamino] diethyl phosphate
CID 10422609
(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride
CID 10423224
Dibutyl (1-chloroethylideneamino) phosphate
CID 71335712
[(E)-1,2-dichloroethylideneamino] dipentyl phosphate
CID 102533613

Frequently Asked Questions

What is the IUPAC name of (1-chloroethylideneamino) dipentyl phosphate?
The IUPAC name of (1-chloroethylideneamino) dipentyl phosphate (CID 71335704) is (1-chloroethylideneamino) dipentyl phosphate.
What is the SMILES notation for (1-chloroethylideneamino) dipentyl phosphate?
The canonical SMILES for (1-chloroethylideneamino) dipentyl phosphate is CCCCCOP(=O)(OCCCCC)ON=C(C)Cl.
What is the InChIKey of (1-chloroethylideneamino) dipentyl phosphate?
The InChIKey is RHFZYKVGAJPSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClNO4P/c1-4-6-8-10-16-19(15,18-14-12(3)13)17-11-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of (1-chloroethylideneamino) dipentyl phosphate?
(1-chloroethylideneamino) dipentyl phosphate has a molecular weight of 313.76 g/mol, XLogP of 5.10, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloroethylideneamino) dipentyl phosphate is sourced from PubChem (CID 71335704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).