5-chloro-2-diethoxyphosphorylpentanal

C9H18ClO4P — CID 10825006

IUPAC5-chloro-2-diethoxyphosphorylpentanal
SMILESCCOP(=O)(OCC)C(C=O)CCCCl
InChIInChI=1S/C9H18ClO4P/c1-3-13-15(12,14-4-2)9(8-11)6-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyLUQLDVMSFHDKDY-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.84
Rot. Bonds9

About 5-chloro-2-diethoxyphosphorylpentanal

5-chloro-2-diethoxyphosphorylpentanal (PubChem CID 10825006) has the molecular formula C9H18ClO4P and a molecular weight of 256.67 g/mol. Its IUPAC name is 5-chloro-2-diethoxyphosphorylpentanal.

Molecular Properties

Compound Name5-chloro-2-diethoxyphosphorylpentanal
PubChem CID10825006
Molecular FormulaC9H18ClO4P
Molecular Weight256.67 g/mol
Exact Mass256.06
IUPAC Name5-chloro-2-diethoxyphosphorylpentanal
SMILESCCOP(=O)(OCC)C(C=O)CCCCl
InChIInChI=1S/C9H18ClO4P/c1-3-13-15(12,14-4-2)9(8-11)6-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyLUQLDVMSFHDKDY-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-diethoxyphosphorylpentanal?
The IUPAC name of 5-chloro-2-diethoxyphosphorylpentanal (CID 10825006) is 5-chloro-2-diethoxyphosphorylpentanal.
What is the SMILES notation for 5-chloro-2-diethoxyphosphorylpentanal?
The canonical SMILES for 5-chloro-2-diethoxyphosphorylpentanal is CCOP(=O)(OCC)C(C=O)CCCCl.
What is the InChIKey of 5-chloro-2-diethoxyphosphorylpentanal?
The InChIKey is LUQLDVMSFHDKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClO4P/c1-3-13-15(12,14-4-2)9(8-11)6-5-7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-chloro-2-diethoxyphosphorylpentanal?
5-chloro-2-diethoxyphosphorylpentanal has a molecular weight of 256.67 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-diethoxyphosphorylpentanal is sourced from PubChem (CID 10825006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).