3-(diethoxyphosphorylmethylidene)pentane

C10H21O3P — CID 15646564

IUPAC3-(diethoxyphosphorylmethylidene)pentane
SMILESCCOP(=O)(C=C(CC)CC)OCC
InChIInChI=1S/C10H21O3P/c1-5-10(6-2)9-14(11,12-7-3)13-8-4/h9H,5-8H2,1-4H3
InChIKeyAPYJDPRULYJVRV-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.96
Rot. Bonds7

About 3-(diethoxyphosphorylmethylidene)pentane

3-(diethoxyphosphorylmethylidene)pentane (PubChem CID 15646564) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethylidene)pentane.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethylidene)pentane
PubChem CID15646564
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name3-(diethoxyphosphorylmethylidene)pentane
SMILESCCOP(=O)(C=C(CC)CC)OCC
InChIInChI=1S/C10H21O3P/c1-5-10(6-2)9-14(11,12-7-3)13-8-4/h9H,5-8H2,1-4H3
InChIKeyAPYJDPRULYJVRV-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.96
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 3-(diethoxyphosphorylmethylidene)pentane?
The IUPAC name of 3-(diethoxyphosphorylmethylidene)pentane (CID 15646564) is 3-(diethoxyphosphorylmethylidene)pentane.
What is the SMILES notation for 3-(diethoxyphosphorylmethylidene)pentane?
The canonical SMILES for 3-(diethoxyphosphorylmethylidene)pentane is CCOP(=O)(C=C(CC)CC)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethylidene)pentane?
The InChIKey is APYJDPRULYJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-5-10(6-2)9-14(11,12-7-3)13-8-4/h9H,5-8H2,1-4H3.
What are the key properties of 3-(diethoxyphosphorylmethylidene)pentane?
3-(diethoxyphosphorylmethylidene)pentane has a molecular weight of 220.25 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethylidene)pentane is sourced from PubChem (CID 15646564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).