2-[chloro(ethyl)phosphoryl]oxybutane

C6H14ClO2P — CID 170850887

IUPAC2-[chloro(ethyl)phosphoryl]oxybutane
SMILESCCC(C)OP(=O)(Cl)CC
InChIInChI=1S/C6H14ClO2P/c1-4-6(3)9-10(7,8)5-2/h6H,4-5H2,1-3H3
InChIKeyZCQJUWJFWDJOHW-UHFFFAOYSA-N
MW184.60 g/mol
LogP3.25
Rot. Bonds4

About 2-[chloro(ethyl)phosphoryl]oxybutane

2-[chloro(ethyl)phosphoryl]oxybutane (PubChem CID 170850887) has the molecular formula C6H14ClO2P and a molecular weight of 184.60 g/mol. Its IUPAC name is 2-[chloro(ethyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name2-[chloro(ethyl)phosphoryl]oxybutane
PubChem CID170850887
Molecular FormulaC6H14ClO2P
Molecular Weight184.60 g/mol
Exact Mass184.04
IUPAC Name2-[chloro(ethyl)phosphoryl]oxybutane
SMILESCCC(C)OP(=O)(Cl)CC
InChIInChI=1S/C6H14ClO2P/c1-4-6(3)9-10(7,8)5-2/h6H,4-5H2,1-3H3
InChIKeyZCQJUWJFWDJOHW-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
tributan-2-yl phosphate
CID 11482502
(1S)-1-[[(2S)-butan-2-yl]oxy-[(2R)-butan-2-yl]oxyphosphoryl]-2,2,2-trichloroethanol
CID 51682652
dipotassium;butan-2-yl phosphate
CID 21353345
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-diethylphosphoryloxypropan-1-ol
CID 137435698
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
acetyl(butan-2-yloxy)phosphinic acid
CID 87198875
2-[butan-2-yloxy-(diethoxyphosphorylamino)phosphoryl]oxybutane
CID 4054615
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
butan-2-yloxy(cyclopropyl)phosphinic acid
CID 87173163
propan-2-yl 2-chloro-2-di(butan-2-yloxy)phosphorylacetate
CID 88798644

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(ethyl)phosphoryl]oxybutane?
The IUPAC name of 2-[chloro(ethyl)phosphoryl]oxybutane (CID 170850887) is 2-[chloro(ethyl)phosphoryl]oxybutane.
What is the SMILES notation for 2-[chloro(ethyl)phosphoryl]oxybutane?
The canonical SMILES for 2-[chloro(ethyl)phosphoryl]oxybutane is CCC(C)OP(=O)(Cl)CC.
What is the InChIKey of 2-[chloro(ethyl)phosphoryl]oxybutane?
The InChIKey is ZCQJUWJFWDJOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO2P/c1-4-6(3)9-10(7,8)5-2/h6H,4-5H2,1-3H3.
What are the key properties of 2-[chloro(ethyl)phosphoryl]oxybutane?
2-[chloro(ethyl)phosphoryl]oxybutane has a molecular weight of 184.60 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(ethyl)phosphoryl]oxybutane is sourced from PubChem (CID 170850887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).