10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate

C19H40O3P- — CID 71340839

IUPAC10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate
SMILESCCCCCCC(CCC(CC)CCCC)OP(=O)([O-])C(C)C
InChIInChI=1S/C19H41O3P/c1-6-9-11-12-14-19(22-23(20,21)17(4)5)16-15-18(8-3)13-10-7-2/h17-19H,6-16H2,1-5H3,(H,20,21)/p-1
InChIKeyMNMSYECOBFEVOW-UHFFFAOYSA-M
MW347.50 g/mol
LogP6.30
Rot. Bonds15

About 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate

10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate (PubChem CID 71340839) has the molecular formula C19H40O3P- and a molecular weight of 347.50 g/mol. Its IUPAC name is 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate.

Molecular Properties

Compound Name10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate
PubChem CID71340839
Molecular FormulaC19H40O3P-
Molecular Weight347.50 g/mol
Exact Mass347.27
IUPAC Name10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate
SMILESCCCCCCC(CCC(CC)CCCC)OP(=O)([O-])C(C)C
InChIInChI=1S/C19H41O3P/c1-6-9-11-12-14-19(22-23(20,21)17(4)5)16-15-18(8-3)13-10-7-2/h17-19H,6-16H2,1-5H3,(H,20,21)/p-1
InChIKeyMNMSYECOBFEVOW-UHFFFAOYSA-M
XLogP6.30
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

cyclohexyl(10-ethyltetradecan-7-yloxy)phosphinic acid
CID 101008990
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
pentadecan-6-yl dihydrogen phosphate
CID 22719349
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
2-ethylhexyl octan-2-yl phosphate
CID 18459399
triheptatriacontan-19-yl phosphate
CID 87670645
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
disodium;octan-3-yl phosphate
CID 87948378
azane;decan-5-yl dihydrogen phosphate
CID 88685768
bis(2-ethylhexyl octan-2-yl phosphate);nickel(2+)
CID 87135845
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate?
The IUPAC name of 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate (CID 71340839) is 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate.
What is the SMILES notation for 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate?
The canonical SMILES for 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate is CCCCCCC(CCC(CC)CCCC)OP(=O)([O-])C(C)C.
What is the InChIKey of 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate?
The InChIKey is MNMSYECOBFEVOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H41O3P/c1-6-9-11-12-14-19(22-23(20,21)17(4)5)16-15-18(8-3)13-10-7-2/h17-19H,6-16H2,1-5H3,(H,20,21)/p-1.
What are the key properties of 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate?
10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate has a molecular weight of 347.50 g/mol, XLogP of 6.30, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyltetradecan-7-yloxy(propan-2-yl)phosphinate is sourced from PubChem (CID 71340839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).