1-[methyl(octoxy)phosphoryl]oxyoctane

C17H37O3P — CID 15779

IUPAC1-[methyl(octoxy)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(C)(=O)OCCCCCCCC
InChIInChI=1S/C17H37O3P/c1-4-6-8-10-12-14-16-19-21(3,18)20-17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyQNNWHJRQILFWHD-UHFFFAOYSA-N
MW320.45 g/mol
LogP6.56
Rot. Bonds16

About 1-[methyl(octoxy)phosphoryl]oxyoctane

1-[methyl(octoxy)phosphoryl]oxyoctane (PubChem CID 15779) has the molecular formula C17H37O3P and a molecular weight of 320.45 g/mol. Its IUPAC name is 1-[methyl(octoxy)phosphoryl]oxyoctane.

Molecular Properties

Compound Name1-[methyl(octoxy)phosphoryl]oxyoctane
PubChem CID15779
Molecular FormulaC17H37O3P
Molecular Weight320.45 g/mol
Exact Mass320.25
IUPAC Name1-[methyl(octoxy)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(C)(=O)OCCCCCCCC
InChIInChI=1S/C17H37O3P/c1-4-6-8-10-12-14-16-19-21(3,18)20-17-15-13-11-9-7-5-2/h4-17H2,1-3H3
InChIKeyQNNWHJRQILFWHD-UHFFFAOYSA-N
XLogP6.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.45
LogP ≤ 56.56
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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Related Compounds

1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
O-[methyl(octoxy)phosphoryl]hydroxylamine
CID 87877912
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
1-[chloro(methyl)phosphoryl]oxyheptane
CID 13173235
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
diheptyl propyl phosphate
CID 22497721
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(octoxy)phosphoryl]oxyoctane?
The IUPAC name of 1-[methyl(octoxy)phosphoryl]oxyoctane (CID 15779) is 1-[methyl(octoxy)phosphoryl]oxyoctane.
What is the SMILES notation for 1-[methyl(octoxy)phosphoryl]oxyoctane?
The canonical SMILES for 1-[methyl(octoxy)phosphoryl]oxyoctane is CCCCCCCCOP(C)(=O)OCCCCCCCC.
What is the InChIKey of 1-[methyl(octoxy)phosphoryl]oxyoctane?
The InChIKey is QNNWHJRQILFWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O3P/c1-4-6-8-10-12-14-16-19-21(3,18)20-17-15-13-11-9-7-5-2/h4-17H2,1-3H3.
What are the key properties of 1-[methyl(octoxy)phosphoryl]oxyoctane?
1-[methyl(octoxy)phosphoryl]oxyoctane has a molecular weight of 320.45 g/mol, XLogP of 6.56, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(octoxy)phosphoryl]oxyoctane is sourced from PubChem (CID 15779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).