1-[methoxy(methyl)phosphoryl]oxyhexane

C8H19O3P — CID 574014

IUPAC1-[methoxy(methyl)phosphoryl]oxyhexane
SMILESCCCCCCOP(C)(=O)OC
InChIInChI=1S/C8H19O3P/c1-4-5-6-7-8-11-12(3,9)10-2/h4-8H2,1-3H3
InChIKeyMFHDAOIJJZPXOS-UHFFFAOYSA-N
MW194.21 g/mol
LogP3.05
Rot. Bonds7

About 1-[methoxy(methyl)phosphoryl]oxyhexane

1-[methoxy(methyl)phosphoryl]oxyhexane (PubChem CID 574014) has the molecular formula C8H19O3P and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]oxyhexane
PubChem CID574014
Molecular FormulaC8H19O3P
Molecular Weight194.21 g/mol
Exact Mass194.11
IUPAC Name1-[methoxy(methyl)phosphoryl]oxyhexane
SMILESCCCCCCOP(C)(=O)OC
InChIInChI=1S/C8H19O3P/c1-4-5-6-7-8-11-12(3,9)10-2/h4-8H2,1-3H3
InChIKeyMFHDAOIJJZPXOS-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 53.05
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-[methoxy(methyl)phosphoryl]oxyhexane?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]oxyhexane (CID 574014) is 1-[methoxy(methyl)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]oxyhexane?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]oxyhexane is CCCCCCOP(C)(=O)OC.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]oxyhexane?
The InChIKey is MFHDAOIJJZPXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P/c1-4-5-6-7-8-11-12(3,9)10-2/h4-8H2,1-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]oxyhexane?
1-[methoxy(methyl)phosphoryl]oxyhexane has a molecular weight of 194.21 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]oxyhexane is sourced from PubChem (CID 574014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).