1-[ethyl(hexoxy)phosphoryl]oxyhexane

C14H31O3P — CID 573831

IUPAC1-[ethyl(hexoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(CC)OCCCCCC
InChIInChI=1S/C14H31O3P/c1-4-7-9-11-13-16-18(15,6-3)17-14-12-10-8-5-2/h4-14H2,1-3H3
InChIKeyRRUGBBNSHZGUPI-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.39
Rot. Bonds13

About 1-[ethyl(hexoxy)phosphoryl]oxyhexane

1-[ethyl(hexoxy)phosphoryl]oxyhexane (PubChem CID 573831) has the molecular formula C14H31O3P and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[ethyl(hexoxy)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[ethyl(hexoxy)phosphoryl]oxyhexane
PubChem CID573831
Molecular FormulaC14H31O3P
Molecular Weight278.37 g/mol
Exact Mass278.20
IUPAC Name1-[ethyl(hexoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(CC)OCCCCCC
InChIInChI=1S/C14H31O3P/c1-4-7-9-11-13-16-18(15,6-3)17-14-12-10-8-5-2/h4-14H2,1-3H3
InChIKeyRRUGBBNSHZGUPI-UHFFFAOYSA-N
XLogP5.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[ethyl(hexoxy)phosphoryl]oxyhexane?
The IUPAC name of 1-[ethyl(hexoxy)phosphoryl]oxyhexane (CID 573831) is 1-[ethyl(hexoxy)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[ethyl(hexoxy)phosphoryl]oxyhexane?
The canonical SMILES for 1-[ethyl(hexoxy)phosphoryl]oxyhexane is CCCCCCOP(=O)(CC)OCCCCCC.
What is the InChIKey of 1-[ethyl(hexoxy)phosphoryl]oxyhexane?
The InChIKey is RRUGBBNSHZGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3P/c1-4-7-9-11-13-16-18(15,6-3)17-14-12-10-8-5-2/h4-14H2,1-3H3.
What are the key properties of 1-[ethyl(hexoxy)phosphoryl]oxyhexane?
1-[ethyl(hexoxy)phosphoryl]oxyhexane has a molecular weight of 278.37 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(hexoxy)phosphoryl]oxyhexane is sourced from PubChem (CID 573831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).