2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol

C11H26NO4P — CID 167255423

IUPAC2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol
SMILESCCCCOP(=O)(CCNC(C)C)OCCO
InChIInChI=1S/C11H26NO4P/c1-4-5-8-15-17(14,16-9-7-13)10-6-12-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyLABNXWKSHXJHBX-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.00
Rot. Bonds11

About 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol

2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol (PubChem CID 167255423) has the molecular formula C11H26NO4P and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol.

Molecular Properties

Compound Name2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol
PubChem CID167255423
Molecular FormulaC11H26NO4P
Molecular Weight267.31 g/mol
Exact Mass267.16
IUPAC Name2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol
SMILESCCCCOP(=O)(CCNC(C)C)OCCO
InChIInChI=1S/C11H26NO4P/c1-4-5-8-15-17(14,16-9-7-13)10-6-12-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyLABNXWKSHXJHBX-UHFFFAOYSA-N
XLogP2.00
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-dibutoxyphosphoryloctacosane
CID 141204672
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
butoxy-N-propan-2-ylphosphonamidic acid
CID 146414796
2-hydroxyethyl ditridecyl phosphate
CID 86141691
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
dibutyl phosphate;tetramethylphosphanium
CID 87474476
1-diheptoxyphosphoryloctadecane
CID 153322672
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-dioctoxyphosphoryldecane
CID 141369437

Frequently Asked Questions

What is the IUPAC name of 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol?
The IUPAC name of 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol (CID 167255423) is 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol.
What is the SMILES notation for 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol?
The canonical SMILES for 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol is CCCCOP(=O)(CCNC(C)C)OCCO.
What is the InChIKey of 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol?
The InChIKey is LABNXWKSHXJHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO4P/c1-4-5-8-15-17(14,16-9-7-13)10-6-12-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol?
2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol has a molecular weight of 267.31 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butoxy-[2-(propan-2-ylamino)ethyl]phosphoryl]oxyethanol is sourced from PubChem (CID 167255423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).