1-phosphorosooxybutane;propane

C7H17O2P — CID 88827784

IUPAC1-phosphorosooxybutane;propane
SMILESCCC.CCCCOP=O
InChIInChI=1S/C4H9O2P.C3H8/c1-2-3-4-6-7-5;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyIRGGOJORKDFEBT-UHFFFAOYSA-N
MW164.19 g/mol
LogP3.43
Rot. Bonds4

About 1-phosphorosooxybutane;propane

1-phosphorosooxybutane;propane (PubChem CID 88827784) has the molecular formula C7H17O2P and a molecular weight of 164.19 g/mol. Its IUPAC name is 1-phosphorosooxybutane;propane.

Molecular Properties

Compound Name1-phosphorosooxybutane;propane
PubChem CID88827784
Molecular FormulaC7H17O2P
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name1-phosphorosooxybutane;propane
SMILESCCC.CCCCOP=O
InChIInChI=1S/C4H9O2P.C3H8/c1-2-3-4-6-7-5;1-3-2/h2-4H2,1H3;3H2,1-2H3
InChIKeyIRGGOJORKDFEBT-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

alumane;1-phosphorosooxypentane
CID 174749996
1-phosphorosooxyoctadecane
CID 23002272
sodium;hydride;1-phosphorosooxypentane
CID 173010911
1-(2-phosphorosooxyethoxy)butane
CID 54124788
sodium;hydride;1-phosphorosooxyoctane
CID 173400721
dodecan-1-amine;1-phosphorosooxyethane
CID 174517277
1-(1-butoxy-1-phosphorosoethoxy)butane
CID 54326502
1-butylperoxybutane
CID 159275797
1-fluoro-2-phosphorosooxyethane
CID 174873392
butoxy-(dichloromethyl)-oxophosphanium
CID 154120622
hexane;oxomercury
CID 174814256
1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosooxybutane;propane?
The IUPAC name of 1-phosphorosooxybutane;propane (CID 88827784) is 1-phosphorosooxybutane;propane.
What is the SMILES notation for 1-phosphorosooxybutane;propane?
The canonical SMILES for 1-phosphorosooxybutane;propane is CCC.CCCCOP=O.
What is the InChIKey of 1-phosphorosooxybutane;propane?
The InChIKey is IRGGOJORKDFEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2P.C3H8/c1-2-3-4-6-7-5;1-3-2/h2-4H2,1H3;3H2,1-2H3.
What are the key properties of 1-phosphorosooxybutane;propane?
1-phosphorosooxybutane;propane has a molecular weight of 164.19 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosooxybutane;propane is sourced from PubChem (CID 88827784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).