3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane

C8H15O5P-2 — CID 71435478

IUPAC3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane
SMILESCCC(CC)(C1OCCO1)P(=O)([O-])[O-]
InChIInChI=1S/C8H17O5P/c1-3-8(4-2,14(9,10)11)7-12-5-6-13-7/h7H,3-6H2,1-2H3,(H2,9,10,11)/p-2
InChIKeyCMDZHPXZVSUULA-UHFFFAOYSA-L
MW222.18 g/mol
LogP-0.17
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane

3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane (PubChem CID 71435478) has the molecular formula C8H15O5P-2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane
PubChem CID71435478
Molecular FormulaC8H15O5P-2
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane
SMILESCCC(CC)(C1OCCO1)P(=O)([O-])[O-]
InChIInChI=1S/C8H17O5P/c1-3-8(4-2,14(9,10)11)7-12-5-6-13-7/h7H,3-6H2,1-2H3,(H2,9,10,11)/p-2
InChIKeyCMDZHPXZVSUULA-UHFFFAOYSA-L
XLogP-0.17
TPSA81.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
The IUPAC name of 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane (CID 71435478) is 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane is CCC(CC)(C1OCCO1)P(=O)([O-])[O-].
What is the InChIKey of 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
The InChIKey is CMDZHPXZVSUULA-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H17O5P/c1-3-8(4-2,14(9,10)11)7-12-5-6-13-7/h7H,3-6H2,1-2H3,(H2,9,10,11)/p-2.
What are the key properties of 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane has a molecular weight of 222.18 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)pentan-3-yl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 71435478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).