1-phosphorosopentane;1,3-xylene

C13H21OP — CID 174843053

IUPAC1-phosphorosopentane;1,3-xylene
SMILESCCCCCP=O.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C5H11OP/c1-7-4-3-5-8(2)6-7;1-2-3-4-5-7-6/h3-6H,1-2H3;2-5H2,1H3
InChIKeyWLMHPQIVPSQMGL-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.77
Rot. Bonds4

About 1-phosphorosopentane;1,3-xylene

1-phosphorosopentane;1,3-xylene (PubChem CID 174843053) has the molecular formula C13H21OP and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-phosphorosopentane;1,3-xylene.

Molecular Properties

Compound Name1-phosphorosopentane;1,3-xylene
PubChem CID174843053
Molecular FormulaC13H21OP
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-phosphorosopentane;1,3-xylene
SMILESCCCCCP=O.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C5H11OP/c1-7-4-3-5-8(2)6-7;1-2-3-4-5-7-6/h3-6H,1-2H3;2-5H2,1H3
InChIKeyWLMHPQIVPSQMGL-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phosphorosopentane;1,3,5-trimethylbenzene
CID 175057624
ethane;pentane;1,3-xylene
CID 142052962
pentan-1-amine;1,3-xylene
CID 174917412
ethane;propane;1,3-xylene
CID 144528046
butane;methane;1,3-xylene;1,4-xylene
CID 159094623
ethane;1-methyl-3-pentylbenzene
CID 143267779
phosphane;tris(1,3-xylene)
CID 67351774
ethane;1,3-xylene
CID 54570178
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
bis(heptane);toluene
CID 157306102
benzene;heptane;hexane;toluene
CID 160959480

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosopentane;1,3-xylene?
The IUPAC name of 1-phosphorosopentane;1,3-xylene (CID 174843053) is 1-phosphorosopentane;1,3-xylene.
What is the SMILES notation for 1-phosphorosopentane;1,3-xylene?
The canonical SMILES for 1-phosphorosopentane;1,3-xylene is CCCCCP=O.Cc1cccc(C)c1.
What is the InChIKey of 1-phosphorosopentane;1,3-xylene?
The InChIKey is WLMHPQIVPSQMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H11OP/c1-7-4-3-5-8(2)6-7;1-2-3-4-5-7-6/h3-6H,1-2H3;2-5H2,1H3.
What are the key properties of 1-phosphorosopentane;1,3-xylene?
1-phosphorosopentane;1,3-xylene has a molecular weight of 224.28 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosopentane;1,3-xylene is sourced from PubChem (CID 174843053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).