3-ethyl-4-phosphorosononadecane

C21H43OP — CID 89306253

IUPAC3-ethyl-4-phosphorosononadecane
SMILESCCCCCCCCCCCCCCCC(P=O)C(CC)CC
InChIInChI=1S/C21H43OP/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23-22)20(5-2)6-3/h20-21H,4-19H2,1-3H3
InChIKeySEKSUCPOYPDPKM-UHFFFAOYSA-N
MW342.55 g/mol
LogP8.56
Rot. Bonds18

About 3-ethyl-4-phosphorosononadecane

3-ethyl-4-phosphorosononadecane (PubChem CID 89306253) has the molecular formula C21H43OP and a molecular weight of 342.55 g/mol. Its IUPAC name is 3-ethyl-4-phosphorosononadecane.

Molecular Properties

Compound Name3-ethyl-4-phosphorosononadecane
PubChem CID89306253
Molecular FormulaC21H43OP
Molecular Weight342.55 g/mol
Exact Mass342.31
IUPAC Name3-ethyl-4-phosphorosononadecane
SMILESCCCCCCCCCCCCCCCC(P=O)C(CC)CC
InChIInChI=1S/C21H43OP/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23-22)20(5-2)6-3/h20-21H,4-19H2,1-3H3
InChIKeySEKSUCPOYPDPKM-UHFFFAOYSA-N
XLogP8.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 58.56
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

2-methyl-3-phosphorosooctane
CID 151124032
9,10-diethyloctadecane
CID 530164
3-phosphorosoicosane
CID 88666329
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
5-butyl-6-ethyldodecane
CID 529932
7-ethyl-6-propyltridecane
CID 530352
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
4-ethyl-3-methylundecane
CID 57279647
8-ethyl-7-methylhexadecane
CID 56974440

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phosphorosononadecane?
The IUPAC name of 3-ethyl-4-phosphorosononadecane (CID 89306253) is 3-ethyl-4-phosphorosononadecane.
What is the SMILES notation for 3-ethyl-4-phosphorosononadecane?
The canonical SMILES for 3-ethyl-4-phosphorosononadecane is CCCCCCCCCCCCCCCC(P=O)C(CC)CC.
What is the InChIKey of 3-ethyl-4-phosphorosononadecane?
The InChIKey is SEKSUCPOYPDPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43OP/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23-22)20(5-2)6-3/h20-21H,4-19H2,1-3H3.
What are the key properties of 3-ethyl-4-phosphorosononadecane?
3-ethyl-4-phosphorosononadecane has a molecular weight of 342.55 g/mol, XLogP of 8.56, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phosphorosononadecane is sourced from PubChem (CID 89306253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).