2,3-dimethyl-2-phosphorosooxyhexane

C8H17O2P — CID 146190332

IUPAC2,3-dimethyl-2-phosphorosooxyhexane
SMILESCCCC(C)C(C)(C)OP=O
InChIInChI=1S/C8H17O2P/c1-5-6-7(2)8(3,4)10-11-9/h7H,5-6H2,1-4H3
InChIKeyDOGHQRJNYWGFOY-UHFFFAOYSA-N
MW176.20 g/mol
LogP3.42
Rot. Bonds5

About 2,3-dimethyl-2-phosphorosooxyhexane

2,3-dimethyl-2-phosphorosooxyhexane (PubChem CID 146190332) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is 2,3-dimethyl-2-phosphorosooxyhexane.

Molecular Properties

Compound Name2,3-dimethyl-2-phosphorosooxyhexane
PubChem CID146190332
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name2,3-dimethyl-2-phosphorosooxyhexane
SMILESCCCC(C)C(C)(C)OP=O
InChIInChI=1S/C8H17O2P/c1-5-6-7(2)8(3,4)10-11-9/h7H,5-6H2,1-4H3
InChIKeyDOGHQRJNYWGFOY-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2,3-dimethylhexan-2-yl) hydrogen phosphate
CID 175385413
2-chloro-2,3-dimethylhexane;cyclohexane
CID 175373008
tris(2,3-dimethylheptan-2-yl) phosphate
CID 87189657
2,3-dimethyldecan-2-yl dihydrogen phosphate
CID 19995674
2,3-dimethylhexan-2-ylphosphane;hydrobromide
CID 173157513
4-phosphorosooxyheptane
CID 175521666
silyl 2,2,3-trimethylhexanoate
CID 123494675
2-(2,3-dimethyldecan-2-yloxy)-2,3-dimethyldecane
CID 18444100
3,4-dimethylheptane-2,2,3-trithiol
CID 166664706
2-tert-butylperoxy-2-methylpropane;2,2,3-trimethylhexanoic acid
CID 146295425
2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol
CID 152502599
2-methoxy-2,3-dimethylundecane
CID 150941081

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-phosphorosooxyhexane?
The IUPAC name of 2,3-dimethyl-2-phosphorosooxyhexane (CID 146190332) is 2,3-dimethyl-2-phosphorosooxyhexane.
What is the SMILES notation for 2,3-dimethyl-2-phosphorosooxyhexane?
The canonical SMILES for 2,3-dimethyl-2-phosphorosooxyhexane is CCCC(C)C(C)(C)OP=O.
What is the InChIKey of 2,3-dimethyl-2-phosphorosooxyhexane?
The InChIKey is DOGHQRJNYWGFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-5-6-7(2)8(3,4)10-11-9/h7H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-phosphorosooxyhexane?
2,3-dimethyl-2-phosphorosooxyhexane has a molecular weight of 176.20 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-phosphorosooxyhexane is sourced from PubChem (CID 146190332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).