4-phosphorosooxyheptane

C7H15O2P — CID 175521666

IUPAC4-phosphorosooxyheptane
SMILESCCCC(CCC)OP=O
InChIInChI=1S/C7H15O2P/c1-3-5-7(6-4-2)9-10-8/h7H,3-6H2,1-2H3
InChIKeyFCYFWWUQTDDQTG-UHFFFAOYSA-N
MW162.17 g/mol
LogP3.18
Rot. Bonds6

About 4-phosphorosooxyheptane

4-phosphorosooxyheptane (PubChem CID 175521666) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is 4-phosphorosooxyheptane.

Molecular Properties

Compound Name4-phosphorosooxyheptane
PubChem CID175521666
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Name4-phosphorosooxyheptane
SMILESCCCC(CCC)OP=O
InChIInChI=1S/C7H15O2P/c1-3-5-7(6-4-2)9-10-8/h7H,3-6H2,1-2H3
InChIKeyFCYFWWUQTDDQTG-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-phosphorosooxypentane
CID 174343094
2-phosphorosooxybutane-1,4-diol
CID 174758189
heptan-4-yl dihydrogen phosphate
CID 18763997
di(heptan-4-yloxy)-oxophosphanium
CID 57260615
2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol
CID 90116485
hexan-3-yloxy(oxo)phosphanium
CID 123426808
2-methyl-3-phosphorosooxypentane
CID 175519901
(313C)heptan-4-yl acetate
CID 117065532
2,3-dimethyl-2-phosphorosooxyhexane
CID 146190332
diheptan-4-yl hydrogen phosphate
CID 22497552
trihexan-3-yl phosphate
CID 22497582
dihexan-3-yl sulfate
CID 19695163

Frequently Asked Questions

What is the IUPAC name of 4-phosphorosooxyheptane?
The IUPAC name of 4-phosphorosooxyheptane (CID 175521666) is 4-phosphorosooxyheptane.
What is the SMILES notation for 4-phosphorosooxyheptane?
The canonical SMILES for 4-phosphorosooxyheptane is CCCC(CCC)OP=O.
What is the InChIKey of 4-phosphorosooxyheptane?
The InChIKey is FCYFWWUQTDDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O2P/c1-3-5-7(6-4-2)9-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-phosphorosooxyheptane?
4-phosphorosooxyheptane has a molecular weight of 162.17 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphorosooxyheptane is sourced from PubChem (CID 175521666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).