1-phosphorosooxyoctadecane

C18H37O2P — CID 23002272

IUPAC1-phosphorosooxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOP=O
InChIInChI=1S/C18H37O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21-19/h2-18H2,1H3
InChIKeyZZOZYEUVQIWVJG-UHFFFAOYSA-N
MW316.47 g/mol
LogP7.47
Rot. Bonds18

About 1-phosphorosooxyoctadecane

1-phosphorosooxyoctadecane (PubChem CID 23002272) has the molecular formula C18H37O2P and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-phosphorosooxyoctadecane.

Molecular Properties

Compound Name1-phosphorosooxyoctadecane
PubChem CID23002272
Molecular FormulaC18H37O2P
Molecular Weight316.47 g/mol
Exact Mass316.25
IUPAC Name1-phosphorosooxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOP=O
InChIInChI=1S/C18H37O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21-19/h2-18H2,1H3
InChIKeyZZOZYEUVQIWVJG-UHFFFAOYSA-N
XLogP7.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 57.47
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

sodium;hydride;1-phosphorosooxyoctane
CID 173400721
alumane;1-phosphorosooxypentane
CID 174749996
sodium;hydride;1-phosphorosooxypentane
CID 173010911
1-phosphorosooxybutane;propane
CID 88827784
1-(2-phosphorosooxyethoxy)butane
CID 54124788
dodecan-1-amine;1-phosphorosooxyethane
CID 174517277
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
dodecylmercury;hydrate
CID 78070234
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosooxyoctadecane?
The IUPAC name of 1-phosphorosooxyoctadecane (CID 23002272) is 1-phosphorosooxyoctadecane.
What is the SMILES notation for 1-phosphorosooxyoctadecane?
The canonical SMILES for 1-phosphorosooxyoctadecane is CCCCCCCCCCCCCCCCCCOP=O.
What is the InChIKey of 1-phosphorosooxyoctadecane?
The InChIKey is ZZOZYEUVQIWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21-19/h2-18H2,1H3.
What are the key properties of 1-phosphorosooxyoctadecane?
1-phosphorosooxyoctadecane has a molecular weight of 316.47 g/mol, XLogP of 7.47, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosooxyoctadecane is sourced from PubChem (CID 23002272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).