7-[butoxy(propoxy)phosphoryl]heptylphosphane

C14H32O3P2 — CID 170308763

IUPAC7-[butoxy(propoxy)phosphoryl]heptylphosphane
SMILESCCCCOP(=O)(CCCCCCCP)OCCC
InChIInChI=1S/C14H32O3P2/c1-3-5-12-17-19(15,16-11-4-2)14-10-8-6-7-9-13-18/h3-14,18H2,1-2H3
InChIKeyNHLHNPNYROPTLJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.25
Rot. Bonds14

About 7-[butoxy(propoxy)phosphoryl]heptylphosphane

7-[butoxy(propoxy)phosphoryl]heptylphosphane (PubChem CID 170308763) has the molecular formula C14H32O3P2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-[butoxy(propoxy)phosphoryl]heptylphosphane.

Molecular Properties

Compound Name7-[butoxy(propoxy)phosphoryl]heptylphosphane
PubChem CID170308763
Molecular FormulaC14H32O3P2
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC Name7-[butoxy(propoxy)phosphoryl]heptylphosphane
SMILESCCCCOP(=O)(CCCCCCCP)OCCC
InChIInChI=1S/C14H32O3P2/c1-3-5-12-17-19(15,16-11-4-2)14-10-8-6-7-9-13-18/h3-14,18H2,1-2H3
InChIKeyNHLHNPNYROPTLJ-UHFFFAOYSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.25
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-dibutoxyphosphoryloctacosane
CID 141204672
1-diheptoxyphosphoryloctadecane
CID 153322672
1-didecoxyphosphoryltetradecane
CID 151616748
1-dioctoxyphosphoryldecane
CID 141369437
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
11-dibutoxyphosphorylundec-1-ene
CID 23108314
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
[octadecyl(pentadecoxy)phosphoryl] hypofluorite
CID 154926633

Frequently Asked Questions

What is the IUPAC name of 7-[butoxy(propoxy)phosphoryl]heptylphosphane?
The IUPAC name of 7-[butoxy(propoxy)phosphoryl]heptylphosphane (CID 170308763) is 7-[butoxy(propoxy)phosphoryl]heptylphosphane.
What is the SMILES notation for 7-[butoxy(propoxy)phosphoryl]heptylphosphane?
The canonical SMILES for 7-[butoxy(propoxy)phosphoryl]heptylphosphane is CCCCOP(=O)(CCCCCCCP)OCCC.
What is the InChIKey of 7-[butoxy(propoxy)phosphoryl]heptylphosphane?
The InChIKey is NHLHNPNYROPTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3P2/c1-3-5-12-17-19(15,16-11-4-2)14-10-8-6-7-9-13-18/h3-14,18H2,1-2H3.
What are the key properties of 7-[butoxy(propoxy)phosphoryl]heptylphosphane?
7-[butoxy(propoxy)phosphoryl]heptylphosphane has a molecular weight of 310.36 g/mol, XLogP of 5.25, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[butoxy(propoxy)phosphoryl]heptylphosphane is sourced from PubChem (CID 170308763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).