1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane

C11H20NO4P — CID 174930789

IUPAC1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane
SMILESCCOP(=O)(C=C1CCCCC1N=O)OCC
InChIInChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)9-10-7-5-6-8-11(10)12-13/h9,11H,3-8H2,1-2H3
InChIKeyUAVRKCWRCKABMS-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.85
Rot. Bonds6

About 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane

1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane (PubChem CID 174930789) has the molecular formula C11H20NO4P and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane
PubChem CID174930789
Molecular FormulaC11H20NO4P
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane
SMILESCCOP(=O)(C=C1CCCCC1N=O)OCC
InChIInChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)9-10-7-5-6-8-11(10)12-13/h9,11H,3-8H2,1-2H3
InChIKeyUAVRKCWRCKABMS-UHFFFAOYSA-N
XLogP3.85
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane?
The IUPAC name of 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane (CID 174930789) is 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane.
What is the SMILES notation for 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane?
The canonical SMILES for 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane is CCOP(=O)(C=C1CCCCC1N=O)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane?
The InChIKey is UAVRKCWRCKABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)9-10-7-5-6-8-11(10)12-13/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane?
1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane has a molecular weight of 261.26 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane is sourced from PubChem (CID 174930789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).