1-[butoxy(methyl)phosphoryl]oxydecane

C15H33O3P — CID 89088308

IUPAC1-[butoxy(methyl)phosphoryl]oxydecane
SMILESCCCCCCCCCCOP(C)(=O)OCCCC
InChIInChI=1S/C15H33O3P/c1-4-6-8-9-10-11-12-13-15-18-19(3,16)17-14-7-5-2/h4-15H2,1-3H3
InChIKeyOLWLQNXFCNJAMB-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.78
Rot. Bonds14

About 1-[butoxy(methyl)phosphoryl]oxydecane

1-[butoxy(methyl)phosphoryl]oxydecane (PubChem CID 89088308) has the molecular formula C15H33O3P and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[butoxy(methyl)phosphoryl]oxydecane.

Molecular Properties

Compound Name1-[butoxy(methyl)phosphoryl]oxydecane
PubChem CID89088308
Molecular FormulaC15H33O3P
Molecular Weight292.40 g/mol
Exact Mass292.22
IUPAC Name1-[butoxy(methyl)phosphoryl]oxydecane
SMILESCCCCCCCCCCOP(C)(=O)OCCCC
InChIInChI=1S/C15H33O3P/c1-4-6-8-9-10-11-12-13-15-18-19(3,16)17-14-7-5-2/h4-15H2,1-3H3
InChIKeyOLWLQNXFCNJAMB-UHFFFAOYSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.78
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

1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
O-[methyl(octoxy)phosphoryl]hydroxylamine
CID 87877912
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
1-[chloro(methyl)phosphoryl]oxyheptane
CID 13173235
butyl heptyl hydrogen phosphate
CID 86151412
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
alumane;trioctyl phosphate
CID 175071420
potassium tris-decyl phosphate
CID 21118666
diheptyl propyl phosphate
CID 22497721

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(methyl)phosphoryl]oxydecane?
The IUPAC name of 1-[butoxy(methyl)phosphoryl]oxydecane (CID 89088308) is 1-[butoxy(methyl)phosphoryl]oxydecane.
What is the SMILES notation for 1-[butoxy(methyl)phosphoryl]oxydecane?
The canonical SMILES for 1-[butoxy(methyl)phosphoryl]oxydecane is CCCCCCCCCCOP(C)(=O)OCCCC.
What is the InChIKey of 1-[butoxy(methyl)phosphoryl]oxydecane?
The InChIKey is OLWLQNXFCNJAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O3P/c1-4-6-8-9-10-11-12-13-15-18-19(3,16)17-14-7-5-2/h4-15H2,1-3H3.
What are the key properties of 1-[butoxy(methyl)phosphoryl]oxydecane?
1-[butoxy(methyl)phosphoryl]oxydecane has a molecular weight of 292.40 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(methyl)phosphoryl]oxydecane is sourced from PubChem (CID 89088308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).