1-[ethoxy(methoxy)phosphoryl]butane

C7H17O3P — CID 86081258

IUPAC1-[ethoxy(methoxy)phosphoryl]butane
SMILESCCCCP(=O)(OC)OCC
InChIInChI=1S/C7H17O3P/c1-4-6-7-11(8,9-3)10-5-2/h4-7H2,1-3H3
InChIKeyNVIHYVACELFHLG-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.66
Rot. Bonds6

About 1-[ethoxy(methoxy)phosphoryl]butane

1-[ethoxy(methoxy)phosphoryl]butane (PubChem CID 86081258) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-[ethoxy(methoxy)phosphoryl]butane.

Molecular Properties

Compound Name1-[ethoxy(methoxy)phosphoryl]butane
PubChem CID86081258
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name1-[ethoxy(methoxy)phosphoryl]butane
SMILESCCCCP(=O)(OC)OCC
InChIInChI=1S/C7H17O3P/c1-4-6-7-11(8,9-3)10-5-2/h4-7H2,1-3H3
InChIKeyNVIHYVACELFHLG-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
1-[fluoromethyl(methoxy)phosphoryl]oxyethane
CID 13426238
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
1-[butyl(ethoxy)phosphoryl]oxytridec-2-yne
CID 91724498
5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[3-[ethoxy(methoxy)phosphoryl]propoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101381643
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
amino-(3-diethoxyphosphorylpropyl)-methyl-tetradecylazanium
CID 121391987
3-diethoxyphosphorylpropyl-hexadecyl-dimethylazanium;ethane
CID 145097741

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(methoxy)phosphoryl]butane?
The IUPAC name of 1-[ethoxy(methoxy)phosphoryl]butane (CID 86081258) is 1-[ethoxy(methoxy)phosphoryl]butane.
What is the SMILES notation for 1-[ethoxy(methoxy)phosphoryl]butane?
The canonical SMILES for 1-[ethoxy(methoxy)phosphoryl]butane is CCCCP(=O)(OC)OCC.
What is the InChIKey of 1-[ethoxy(methoxy)phosphoryl]butane?
The InChIKey is NVIHYVACELFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-4-6-7-11(8,9-3)10-5-2/h4-7H2,1-3H3.
What are the key properties of 1-[ethoxy(methoxy)phosphoryl]butane?
1-[ethoxy(methoxy)phosphoryl]butane has a molecular weight of 180.18 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methoxy)phosphoryl]butane is sourced from PubChem (CID 86081258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).