3-phosphorosoicosane

C20H41OP — CID 88666329

IUPAC3-phosphorosoicosane
SMILESCCCCCCCCCCCCCCCCCC(CC)P=O
InChIInChI=1S/C20H41OP/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)22-21/h20H,3-19H2,1-2H3
InChIKeyDCVFQFASVZPCTP-UHFFFAOYSA-N
MW328.52 g/mol
LogP8.32
Rot. Bonds18

About 3-phosphorosoicosane

3-phosphorosoicosane (PubChem CID 88666329) has the molecular formula C20H41OP and a molecular weight of 328.52 g/mol. Its IUPAC name is 3-phosphorosoicosane.

Molecular Properties

Compound Name3-phosphorosoicosane
PubChem CID88666329
Molecular FormulaC20H41OP
Molecular Weight328.52 g/mol
Exact Mass328.29
IUPAC Name3-phosphorosoicosane
SMILESCCCCCCCCCCCCCCCCCC(CC)P=O
InChIInChI=1S/C20H41OP/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)22-21/h20H,3-19H2,1-2H3
InChIKeyDCVFQFASVZPCTP-UHFFFAOYSA-N
XLogP8.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.52
LogP ≤ 58.32
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

3-ethyl-4-phosphorosononadecane
CID 89306253
2-methyl-3-phosphorosooctane
CID 151124032
9,10-diethyloctadecane
CID 530164
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
9-octyloctadecane
CID 54267850
8-pentylheptadecane
CID 90754347
17-pentylhexatriacontane
CID 91327833

Frequently Asked Questions

What is the IUPAC name of 3-phosphorosoicosane?
The IUPAC name of 3-phosphorosoicosane (CID 88666329) is 3-phosphorosoicosane.
What is the SMILES notation for 3-phosphorosoicosane?
The canonical SMILES for 3-phosphorosoicosane is CCCCCCCCCCCCCCCCCC(CC)P=O.
What is the InChIKey of 3-phosphorosoicosane?
The InChIKey is DCVFQFASVZPCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41OP/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)22-21/h20H,3-19H2,1-2H3.
What are the key properties of 3-phosphorosoicosane?
3-phosphorosoicosane has a molecular weight of 328.52 g/mol, XLogP of 8.32, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphorosoicosane is sourced from PubChem (CID 88666329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).