2-[methoxy(methyl)phosphoryl]hexane

C8H19O2P — CID 87946542

IUPAC2-[methoxy(methyl)phosphoryl]hexane
SMILESCCCCC(C)P(C)(=O)OC
InChIInChI=1S/C8H19O2P/c1-5-6-7-8(2)11(4,9)10-3/h8H,5-7H2,1-4H3
InChIKeyOLCNDKAPDPVINC-UHFFFAOYSA-N
MW178.21 g/mol
LogP3.12
Rot. Bonds5

About 2-[methoxy(methyl)phosphoryl]hexane

2-[methoxy(methyl)phosphoryl]hexane (PubChem CID 87946542) has the molecular formula C8H19O2P and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-[methoxy(methyl)phosphoryl]hexane.

Molecular Properties

Compound Name2-[methoxy(methyl)phosphoryl]hexane
PubChem CID87946542
Molecular FormulaC8H19O2P
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Name2-[methoxy(methyl)phosphoryl]hexane
SMILESCCCCC(C)P(C)(=O)OC
InChIInChI=1S/C8H19O2P/c1-5-6-7-8(2)11(4,9)10-3/h8H,5-7H2,1-4H3
InChIKeyOLCNDKAPDPVINC-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methoxy(methyl)phosphoryl]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-di(hexan-2-yl)phosphoryloxyhexane
CID 174842913
hept-1-en-3-yl methyl hydrogen phosphate
CID 175860112
1-bromo-1-dimethoxyphosphorylhexan-2-ol
CID 22399764
dimethyl hydrogen phosphate;methyl(trioctyl)phosphanium
CID 129073670
decan-2-ylphosphonic acid
CID 22076607
heptadecan-2-ylphosphonic acid
CID 86620819
octan-2-ylphosphonic acid
CID 18365588
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
(4S)-1-dimethoxyphosphoryl-4-methyl(214C)octan-2-one
CID 10753288
methoxy(trifluoromethyl)phosphinate;tributyl(methyl)phosphanium
CID 87669230
methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
CID 158242345
3-[methoxy(methyl)phosphoryl]oxyoctane
CID 170850834

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)phosphoryl]hexane?
The IUPAC name of 2-[methoxy(methyl)phosphoryl]hexane (CID 87946542) is 2-[methoxy(methyl)phosphoryl]hexane.
What is the SMILES notation for 2-[methoxy(methyl)phosphoryl]hexane?
The canonical SMILES for 2-[methoxy(methyl)phosphoryl]hexane is CCCCC(C)P(C)(=O)OC.
What is the InChIKey of 2-[methoxy(methyl)phosphoryl]hexane?
The InChIKey is OLCNDKAPDPVINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P/c1-5-6-7-8(2)11(4,9)10-3/h8H,5-7H2,1-4H3.
What are the key properties of 2-[methoxy(methyl)phosphoryl]hexane?
2-[methoxy(methyl)phosphoryl]hexane has a molecular weight of 178.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)phosphoryl]hexane is sourced from PubChem (CID 87946542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).