1-[decyl(methyl)phosphoryl]oxydecane

C21H45O2P — CID 174626419

IUPAC1-[decyl(methyl)phosphoryl]oxydecane
SMILESCCCCCCCCCCOP(C)(=O)CCCCCCCCCC
InChIInChI=1S/C21H45O2P/c1-4-6-8-10-12-14-16-18-20-23-24(3,22)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyHVZRQZKZMBYHEW-UHFFFAOYSA-N
MW360.56 g/mol
LogP8.19
Rot. Bonds19

About 1-[decyl(methyl)phosphoryl]oxydecane

1-[decyl(methyl)phosphoryl]oxydecane (PubChem CID 174626419) has the molecular formula C21H45O2P and a molecular weight of 360.56 g/mol. Its IUPAC name is 1-[decyl(methyl)phosphoryl]oxydecane.

Molecular Properties

Compound Name1-[decyl(methyl)phosphoryl]oxydecane
PubChem CID174626419
Molecular FormulaC21H45O2P
Molecular Weight360.56 g/mol
Exact Mass360.32
IUPAC Name1-[decyl(methyl)phosphoryl]oxydecane
SMILESCCCCCCCCCCOP(C)(=O)CCCCCCCCCC
InChIInChI=1S/C21H45O2P/c1-4-6-8-10-12-14-16-18-20-23-24(3,22)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKeyHVZRQZKZMBYHEW-UHFFFAOYSA-N
XLogP8.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.56
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-[methyl(octadecyl)phosphoryl]oxyoctadecane
CID 174492460
1-[butoxy(methyl)phosphoryl]hexane
CID 54339401
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-diheptoxyphosphoryloctadecane
CID 153322672
1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
CID 54423327
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
hexyl(pentoxy)phosphinic acid
CID 139947056
1-[ethyl(octyl)phosphoryl]oxyoctane
CID 174639586
heptoxy(octadecyl)phosphinic acid
CID 139947141

Frequently Asked Questions

What is the IUPAC name of 1-[decyl(methyl)phosphoryl]oxydecane?
The IUPAC name of 1-[decyl(methyl)phosphoryl]oxydecane (CID 174626419) is 1-[decyl(methyl)phosphoryl]oxydecane.
What is the SMILES notation for 1-[decyl(methyl)phosphoryl]oxydecane?
The canonical SMILES for 1-[decyl(methyl)phosphoryl]oxydecane is CCCCCCCCCCOP(C)(=O)CCCCCCCCCC.
What is the InChIKey of 1-[decyl(methyl)phosphoryl]oxydecane?
The InChIKey is HVZRQZKZMBYHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45O2P/c1-4-6-8-10-12-14-16-18-20-23-24(3,22)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3.
What are the key properties of 1-[decyl(methyl)phosphoryl]oxydecane?
1-[decyl(methyl)phosphoryl]oxydecane has a molecular weight of 360.56 g/mol, XLogP of 8.19, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[decyl(methyl)phosphoryl]oxydecane is sourced from PubChem (CID 174626419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).