3-ethyl-3-phosphorosotetradecane

C16H33OP — CID 87266835

IUPAC3-ethyl-3-phosphorosotetradecane
SMILESCCCCCCCCCCCC(CC)(CC)P=O
InChIInChI=1S/C16H33OP/c1-4-7-8-9-10-11-12-13-14-15-16(5-2,6-3)18-17/h4-15H2,1-3H3
InChIKeyPMOAWIYAQNFOJI-UHFFFAOYSA-N
MW272.41 g/mol
LogP6.76
Rot. Bonds13

About 3-ethyl-3-phosphorosotetradecane

3-ethyl-3-phosphorosotetradecane (PubChem CID 87266835) has the molecular formula C16H33OP and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-ethyl-3-phosphorosotetradecane.

Molecular Properties

Compound Name3-ethyl-3-phosphorosotetradecane
PubChem CID87266835
Molecular FormulaC16H33OP
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name3-ethyl-3-phosphorosotetradecane
SMILESCCCCCCCCCCCC(CC)(CC)P=O
InChIInChI=1S/C16H33OP/c1-4-7-8-9-10-11-12-13-14-15-16(5-2,6-3)18-17/h4-15H2,1-3H3
InChIKeyPMOAWIYAQNFOJI-UHFFFAOYSA-N
XLogP6.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 56.76
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

7-hexyl-7-phosphorosotetradecane
CID 54101700
5-(2,3-dimethylbutyl)-2,3-dimethyl-5-phosphorosoundecane
CID 19826656
2,2,4-trimethyl-6-phosphoroso-6-(2,4,4-trimethylpentyl)tridecane
CID 19774877
9-ethenyl-9-phosphorosoheptadecane
CID 88748001
tetracosane-6,6-diamine
CID 154005419
3-chloro-3-methyloctadecane
CID 158282272
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
8-hexyl-8-pentylhexadecane
CID 521602
9,9-dioctyloctadecane
CID 19690418
3-ethyl-3-methyldodecane
CID 56619966
3-ethyl-3-methyltetradecane
CID 54159558

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phosphorosotetradecane?
The IUPAC name of 3-ethyl-3-phosphorosotetradecane (CID 87266835) is 3-ethyl-3-phosphorosotetradecane.
What is the SMILES notation for 3-ethyl-3-phosphorosotetradecane?
The canonical SMILES for 3-ethyl-3-phosphorosotetradecane is CCCCCCCCCCCC(CC)(CC)P=O.
What is the InChIKey of 3-ethyl-3-phosphorosotetradecane?
The InChIKey is PMOAWIYAQNFOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33OP/c1-4-7-8-9-10-11-12-13-14-15-16(5-2,6-3)18-17/h4-15H2,1-3H3.
What are the key properties of 3-ethyl-3-phosphorosotetradecane?
3-ethyl-3-phosphorosotetradecane has a molecular weight of 272.41 g/mol, XLogP of 6.76, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phosphorosotetradecane is sourced from PubChem (CID 87266835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).