2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane

C5H10ClO3P — CID 12609879

IUPAC2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane
SMILESCCOCC1COP(Cl)O1
InChIInChI=1S/C5H10ClO3P/c1-2-7-3-5-4-8-10(6)9-5/h5H,2-4H2,1H3
InChIKeyGTFJXSFNNWWEEM-UHFFFAOYSA-N
MW184.56 g/mol
LogP1.90
Rot. Bonds3

About 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane

2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane (PubChem CID 12609879) has the molecular formula C5H10ClO3P and a molecular weight of 184.56 g/mol. Its IUPAC name is 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane
PubChem CID12609879
Molecular FormulaC5H10ClO3P
Molecular Weight184.56 g/mol
Exact Mass184.01
IUPAC Name2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane
SMILESCCOCC1COP(Cl)O1
InChIInChI=1S/C5H10ClO3P/c1-2-7-3-5-4-8-10(6)9-5/h5H,2-4H2,1H3
InChIKeyGTFJXSFNNWWEEM-UHFFFAOYSA-N
XLogP1.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.56
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane?
The IUPAC name of 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane (CID 12609879) is 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane?
The canonical SMILES for 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane is CCOCC1COP(Cl)O1.
What is the InChIKey of 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane?
The InChIKey is GTFJXSFNNWWEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO3P/c1-2-7-3-5-4-8-10(6)9-5/h5H,2-4H2,1H3.
What are the key properties of 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane?
2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane has a molecular weight of 184.56 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane is sourced from PubChem (CID 12609879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).