2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide

C8H17O4P — CID 123874175

IUPAC2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC(C)CCCOP1(=O)OCCO1
InChIInChI=1S/C8H17O4P/c1-8(2)4-3-5-10-13(9)11-6-7-12-13/h8H,3-7H2,1-2H3
InChIKeyDAMXXPGHTZHZMY-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide

2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 123874175) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID123874175
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC(C)CCCOP1(=O)OCCO1
InChIInChI=1S/C8H17O4P/c1-8(2)4-3-5-10-13(9)11-6-7-12-13/h8H,3-7H2,1-2H3
InChIKeyDAMXXPGHTZHZMY-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide (CID 123874175) is 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide is CC(C)CCCOP1(=O)OCCO1.
What is the InChIKey of 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is DAMXXPGHTZHZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-8(2)4-3-5-10-13(9)11-6-7-12-13/h8H,3-7H2,1-2H3.
What are the key properties of 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 208.19 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 123874175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).