CID 134963868

C8H17NO3P — CID 134963868

IUPAC—
SMILESCCOP(=O)(OCC)[C@@H]1CCC[N]1
InChIInChI=1S/C8H17NO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLIJFLOFYMRKMEM-MRVPVSSYSA-N
MW206.20 g/mol
LogP1.98
Rot. Bonds5

About CID 134963868

CID 134963868 (PubChem CID 134963868) has the molecular formula C8H17NO3P and a molecular weight of 206.20 g/mol.

Molecular Properties

Compound NameCID 134963868
PubChem CID134963868
Molecular FormulaC8H17NO3P
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name—
SMILESCCOP(=O)(OCC)[C@@H]1CCC[N]1
InChIInChI=1S/C8H17NO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9-8/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLIJFLOFYMRKMEM-MRVPVSSYSA-N
XLogP1.98
TPSA49.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 101403900
CID 101403900
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
(2R)-2-diethoxyphosphorylpyrrolidine
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(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
CID 11402086
1-diethoxyphosphoryl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 11413916
3-diethoxyphosphoryl-2-oxocyclohexane-1-carbaldehyde
CID 11747405
N-diethoxyphosphorylcyclopentanamine
CID 14195307
3-diethoxyphosphorylcyclopentene
CID 11435641
3-diethoxyphosphorylcyclobutan-1-amine
CID 10727016
(1S,2S,4R)-2-diethoxyphosphorylbicyclo[2.2.1]heptane
CID 51013263
3-diethoxyphosphoryl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 132581637
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675

Frequently Asked Questions

What is the IUPAC name of CID 134963868?
The IUPAC name of CID 134963868 (CID 134963868) is not available.
What is the SMILES notation for CID 134963868?
The canonical SMILES for CID 134963868 is CCOP(=O)(OCC)[C@@H]1CCC[N]1.
What is the InChIKey of CID 134963868?
The InChIKey is LIJFLOFYMRKMEM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9-8/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of CID 134963868?
CID 134963868 has a molecular weight of 206.20 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134963868 is sourced from PubChem (CID 134963868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).