1-[butoxy(methyl)phosphoryl]hexane

C11H25O2P — CID 54339401

IUPAC1-[butoxy(methyl)phosphoryl]hexane
SMILESCCCCCCP(C)(=O)OCCCC
InChIInChI=1S/C11H25O2P/c1-4-6-8-9-11-14(3,12)13-10-7-5-2/h4-11H2,1-3H3
InChIKeyTXWBBLWIZXAETK-UHFFFAOYSA-N
MW220.29 g/mol
LogP4.29
Rot. Bonds9

About 1-[butoxy(methyl)phosphoryl]hexane

1-[butoxy(methyl)phosphoryl]hexane (PubChem CID 54339401) has the molecular formula C11H25O2P and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[butoxy(methyl)phosphoryl]hexane.

Molecular Properties

Compound Name1-[butoxy(methyl)phosphoryl]hexane
PubChem CID54339401
Molecular FormulaC11H25O2P
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC Name1-[butoxy(methyl)phosphoryl]hexane
SMILESCCCCCCP(C)(=O)OCCCC
InChIInChI=1S/C11H25O2P/c1-4-6-8-9-11-14(3,12)13-10-7-5-2/h4-11H2,1-3H3
InChIKeyTXWBBLWIZXAETK-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.29
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-[decyl(methyl)phosphoryl]oxydecane
CID 174626419
1-[methyl(octadecyl)phosphoryl]oxyoctadecane
CID 174492460
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
CID 54423327
1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
1-diheptoxyphosphoryloctadecane
CID 153322672
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
dibutyl decyl phosphate
CID 19784867
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
butyl dihexyl phosphate
CID 22497695

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(methyl)phosphoryl]hexane?
The IUPAC name of 1-[butoxy(methyl)phosphoryl]hexane (CID 54339401) is 1-[butoxy(methyl)phosphoryl]hexane.
What is the SMILES notation for 1-[butoxy(methyl)phosphoryl]hexane?
The canonical SMILES for 1-[butoxy(methyl)phosphoryl]hexane is CCCCCCP(C)(=O)OCCCC.
What is the InChIKey of 1-[butoxy(methyl)phosphoryl]hexane?
The InChIKey is TXWBBLWIZXAETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O2P/c1-4-6-8-9-11-14(3,12)13-10-7-5-2/h4-11H2,1-3H3.
What are the key properties of 1-[butoxy(methyl)phosphoryl]hexane?
1-[butoxy(methyl)phosphoryl]hexane has a molecular weight of 220.29 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(methyl)phosphoryl]hexane is sourced from PubChem (CID 54339401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).