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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Related Compounds

2-(3-methylsulfanylpropoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 169097412
2-(14-methylpentadecylperoxyperoxyperoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 151220292
2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanol
CID 59760775
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
2-[2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethoxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 54442923
bis(4-methylpentyl) oxalate
CID 6420411
ethane;4-ethylmorpholine;1-methoxy-4-methylpentane
CID 163401074
[3,3-dimethyl-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]butan-2-yl]oxy-dimethylsilane
CID 173329753
3-bromo-4-(4-methylpentoxy)oxolane
CID 114773444
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945

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).