cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine

C11H26NO4P — CID 174717121

IUPACcyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
SMILESCN(C)C.COP(=O)(OC)OC1CCCCC1
InChIInChI=1S/C8H17O4P.C3H9N/c1-10-13(9,11-2)12-8-6-4-3-5-7-8;1-4(2)3/h8H,3-7H2,1-2H3;1-3H3
InChIKeySBQQBTMTHZHQOG-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.91
Rot. Bonds4

About cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine

cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine (PubChem CID 174717121) has the molecular formula C11H26NO4P and a molecular weight of 267.31 g/mol. Its IUPAC name is cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine.

Molecular Properties

Compound Namecyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
PubChem CID174717121
Molecular FormulaC11H26NO4P
Molecular Weight267.31 g/mol
Exact Mass267.16
IUPAC Namecyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
SMILESCN(C)C.COP(=O)(OC)OC1CCCCC1
InChIInChI=1S/C8H17O4P.C3H9N/c1-10-13(9,11-2)12-8-6-4-3-5-7-8;1-4(2)3/h8H,3-7H2,1-2H3;1-3H3
InChIKeySBQQBTMTHZHQOG-UHFFFAOYSA-N
XLogP2.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tricyclooctyl phosphate
CID 22995283
cyclopentyl fluoro methyl phosphate
CID 66729749
cyclohexyl ethyl methyl phosphate
CID 66729683
tricyclobutyl phosphate
CID 66609052
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
dicyclohexyl ethenyl phosphate
CID 152633991
[ethyl(methoxy)phosphoryl]oxycyclopentane
CID 87128122
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
CID 87128036
N-[(4-cyclohexylcyclohexyl)oxy-(dimethylamino)phosphoryl]-N-methylmethanamine
CID 10947038
[chloro(methyl)phosphoryl]oxycyclopentane
CID 170850792
bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614

Frequently Asked Questions

What is the IUPAC name of cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine?
The IUPAC name of cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine (CID 174717121) is cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine.
What is the SMILES notation for cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine?
The canonical SMILES for cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine is CN(C)C.COP(=O)(OC)OC1CCCCC1.
What is the InChIKey of cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine?
The InChIKey is SBQQBTMTHZHQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P.C3H9N/c1-10-13(9,11-2)12-8-6-4-3-5-7-8;1-4(2)3/h8H,3-7H2,1-2H3;1-3H3.
What are the key properties of cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine?
cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine has a molecular weight of 267.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine is sourced from PubChem (CID 174717121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).