3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane

C15H33O3P — CID 91716456

IUPAC3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane
SMILESCCCCC(CC)COP(=O)(CCCC)OCCC
InChIInChI=1S/C15H33O3P/c1-5-9-11-15(8-4)14-18-19(16,13-10-6-2)17-12-7-3/h15H,5-14H2,1-4H3
InChIKeyWJASOWQQRVTIRS-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.64
Rot. Bonds13

About 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane

3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane (PubChem CID 91716456) has the molecular formula C15H33O3P and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane.

Molecular Properties

Compound Name3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane
PubChem CID91716456
Molecular FormulaC15H33O3P
Molecular Weight292.40 g/mol
Exact Mass292.22
IUPAC Name3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane
SMILESCCCCC(CC)COP(=O)(CCCC)OCCC
InChIInChI=1S/C15H33O3P/c1-5-9-11-15(8-4)14-18-19(16,13-10-6-2)17-12-7-3/h15H,5-14H2,1-4H3
InChIKeyWJASOWQQRVTIRS-UHFFFAOYSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(2-ethylhexoxy)phosphoryl]oxydodecane
CID 91716666
3-[[ethyl(hexoxy)phosphoryl]oxymethyl]heptane
CID 174538298
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
CID 87184341
CID 87184341
CID 131883274
CID 131883274
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
3-[[disulfanyl(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
CID 173420087

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane?
The IUPAC name of 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane (CID 91716456) is 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane.
What is the SMILES notation for 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane?
The canonical SMILES for 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane is CCCCC(CC)COP(=O)(CCCC)OCCC.
What is the InChIKey of 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane?
The InChIKey is WJASOWQQRVTIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O3P/c1-5-9-11-15(8-4)14-18-19(16,13-10-6-2)17-12-7-3/h15H,5-14H2,1-4H3.
What are the key properties of 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane?
3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane has a molecular weight of 292.40 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(propoxy)phosphoryl]oxymethyl]heptane is sourced from PubChem (CID 91716456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).