7-hexyl-7-phosphorosotetradecane

C20H41OP — CID 54101700

IUPAC7-hexyl-7-phosphorosotetradecane
SMILESCCCCCCCC(CCCCCC)(CCCCCC)P=O
InChIInChI=1S/C20H41OP/c1-4-7-10-13-16-19-20(22-21,17-14-11-8-5-2)18-15-12-9-6-3/h4-19H2,1-3H3
InChIKeyNAXWBTOGQNNSNJ-UHFFFAOYSA-N
MW328.52 g/mol
LogP8.32
Rot. Bonds17

About 7-hexyl-7-phosphorosotetradecane

7-hexyl-7-phosphorosotetradecane (PubChem CID 54101700) has the molecular formula C20H41OP and a molecular weight of 328.52 g/mol. Its IUPAC name is 7-hexyl-7-phosphorosotetradecane.

Molecular Properties

Compound Name7-hexyl-7-phosphorosotetradecane
PubChem CID54101700
Molecular FormulaC20H41OP
Molecular Weight328.52 g/mol
Exact Mass328.29
IUPAC Name7-hexyl-7-phosphorosotetradecane
SMILESCCCCCCCC(CCCCCC)(CCCCCC)P=O
InChIInChI=1S/C20H41OP/c1-4-7-10-13-16-19-20(22-21,17-14-11-8-5-2)18-15-12-9-6-3/h4-19H2,1-3H3
InChIKeyNAXWBTOGQNNSNJ-UHFFFAOYSA-N
XLogP8.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
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-3-phosphorosotetradecane
CID 87266835
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
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
8-hexyl-8-pentylhexadecane
CID 521602
9,9-dioctyloctadecane
CID 19690418
calcium;hydride;octane
CID 173403164
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-7-phosphorosotetradecane?
The IUPAC name of 7-hexyl-7-phosphorosotetradecane (CID 54101700) is 7-hexyl-7-phosphorosotetradecane.
What is the SMILES notation for 7-hexyl-7-phosphorosotetradecane?
The canonical SMILES for 7-hexyl-7-phosphorosotetradecane is CCCCCCCC(CCCCCC)(CCCCCC)P=O.
What is the InChIKey of 7-hexyl-7-phosphorosotetradecane?
The InChIKey is NAXWBTOGQNNSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41OP/c1-4-7-10-13-16-19-20(22-21,17-14-11-8-5-2)18-15-12-9-6-3/h4-19H2,1-3H3.
What are the key properties of 7-hexyl-7-phosphorosotetradecane?
7-hexyl-7-phosphorosotetradecane has a molecular weight of 328.52 g/mol, XLogP of 8.32, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-7-phosphorosotetradecane is sourced from PubChem (CID 54101700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).