4,4-diethyl-1-phosphorosooxyhexane

C10H21O2P — CID 162705389

IUPAC4,4-diethyl-1-phosphorosooxyhexane
SMILESCCC(CC)(CC)CCCOP=O
InChIInChI=1S/C10H21O2P/c1-4-10(5-2,6-3)8-7-9-12-13-11/h4-9H2,1-3H3
InChIKeyFFYYEKALNBPBEX-UHFFFAOYSA-N
MW204.25 g/mol
LogP4.21
Rot. Bonds8

About 4,4-diethyl-1-phosphorosooxyhexane

4,4-diethyl-1-phosphorosooxyhexane (PubChem CID 162705389) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is 4,4-diethyl-1-phosphorosooxyhexane.

Molecular Properties

Compound Name4,4-diethyl-1-phosphorosooxyhexane
PubChem CID162705389
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Name4,4-diethyl-1-phosphorosooxyhexane
SMILESCCC(CC)(CC)CCCOP=O
InChIInChI=1S/C10H21O2P/c1-4-10(5-2,6-3)8-7-9-12-13-11/h4-9H2,1-3H3
InChIKeyFFYYEKALNBPBEX-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-phosphorosooxyhexane?
The IUPAC name of 4,4-diethyl-1-phosphorosooxyhexane (CID 162705389) is 4,4-diethyl-1-phosphorosooxyhexane.
What is the SMILES notation for 4,4-diethyl-1-phosphorosooxyhexane?
The canonical SMILES for 4,4-diethyl-1-phosphorosooxyhexane is CCC(CC)(CC)CCCOP=O.
What is the InChIKey of 4,4-diethyl-1-phosphorosooxyhexane?
The InChIKey is FFYYEKALNBPBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2P/c1-4-10(5-2,6-3)8-7-9-12-13-11/h4-9H2,1-3H3.
What are the key properties of 4,4-diethyl-1-phosphorosooxyhexane?
4,4-diethyl-1-phosphorosooxyhexane has a molecular weight of 204.25 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-phosphorosooxyhexane is sourced from PubChem (CID 162705389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).