(2S)-2-[chloro(ethoxy)phosphoryl]oxybutane

C6H14ClO3P — CID 18643664

IUPAC(2S)-2-[chloro(ethoxy)phosphoryl]oxybutane
SMILESCCOP(=O)(Cl)O[C@@H](C)CC
InChIInChI=1S/C6H14ClO3P/c1-4-6(3)10-11(7,8)9-5-2/h6H,4-5H2,1-3H3/t6-,11?/m0/s1
InChIKeyXCISQTHMHZJJFD-OCAOPBLFSA-N
MW200.60 g/mol
LogP3.18
Rot. Bonds5

About (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane

(2S)-2-[chloro(ethoxy)phosphoryl]oxybutane (PubChem CID 18643664) has the molecular formula C6H14ClO3P and a molecular weight of 200.60 g/mol. Its IUPAC name is (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane.

Molecular Properties

Compound Name(2S)-2-[chloro(ethoxy)phosphoryl]oxybutane
PubChem CID18643664
Molecular FormulaC6H14ClO3P
Molecular Weight200.60 g/mol
Exact Mass200.04
IUPAC Name(2S)-2-[chloro(ethoxy)phosphoryl]oxybutane
SMILESCCOP(=O)(Cl)O[C@@H](C)CC
InChIInChI=1S/C6H14ClO3P/c1-4-6(3)10-11(7,8)9-5-2/h6H,4-5H2,1-3H3/t6-,11?/m0/s1
InChIKeyXCISQTHMHZJJFD-OCAOPBLFSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 53.18
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

Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Sarin
CID 7871
Diethyl chlorophosphate
CID 13139
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Diisopropyl phosphate
CID 74162
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989
O,O-Bis(1-methylethyl) phosphorochloridothioate
CID 75652
Triisopropyl phosphate
CID 68188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane?
The IUPAC name of (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane (CID 18643664) is (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane.
What is the SMILES notation for (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane?
The canonical SMILES for (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane is CCOP(=O)(Cl)O[C@@H](C)CC.
What is the InChIKey of (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane?
The InChIKey is XCISQTHMHZJJFD-OCAOPBLFSA-N. The full InChI is InChI=1S/C6H14ClO3P/c1-4-6(3)10-11(7,8)9-5-2/h6H,4-5H2,1-3H3/t6-,11?/m0/s1.
What are the key properties of (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane?
(2S)-2-[chloro(ethoxy)phosphoryl]oxybutane has a molecular weight of 200.60 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[chloro(ethoxy)phosphoryl]oxybutane is sourced from PubChem (CID 18643664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).