3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane

C10H23O3P — CID 126496979

IUPAC3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane
SMILESCCC(CC)(CC)COP(C)(=O)OC
InChIInChI=1S/C10H23O3P/c1-6-10(7-2,8-3)9-13-14(5,11)12-4/h6-9H2,1-5H3
InChIKeyBRLPGVPYCNPCLQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.69
Rot. Bonds7

About 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane

3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane (PubChem CID 126496979) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane.

Molecular Properties

Compound Name3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane
PubChem CID126496979
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Name3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane
SMILESCCC(CC)(CC)COP(C)(=O)OC
InChIInChI=1S/C10H23O3P/c1-6-10(7-2,8-3)9-13-14(5,11)12-4/h6-9H2,1-5H3
InChIKeyBRLPGVPYCNPCLQ-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[methoxy(methyl)phosphoryl]oxy-2,2-dimethylpropane
CID 91752261
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
2,2-bis(hydroxymethyl)butyl dihydrogen phosphate
CID 18755950
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
CID 57459832
CID 57459832
diethyl [methoxy(methyl)phosphoryl] phosphate
CID 162624062
1-[methoxy(methyl)phosphoryl]oxypentan-2-one
CID 88842238
1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
CID 14451329
2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid
CID 126576977
[2-[[dihydroxy(methylidene)-λ5-phosphanyl]oxymethyl]-2-(prop-2-enoxymethyl)butyl] dihydrogen phosphate
CID 89278353
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634
methane;methoxymethyl-[[methoxy(methyl)phosphoryl]oxymethyl]-dimethylazanium
CID 158769019

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane?
The IUPAC name of 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane (CID 126496979) is 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane.
What is the SMILES notation for 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane?
The canonical SMILES for 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane is CCC(CC)(CC)COP(C)(=O)OC.
What is the InChIKey of 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane?
The InChIKey is BRLPGVPYCNPCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-6-10(7-2,8-3)9-13-14(5,11)12-4/h6-9H2,1-5H3.
What are the key properties of 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane?
3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane has a molecular weight of 222.26 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[methoxy(methyl)phosphoryl]oxymethyl]pentane is sourced from PubChem (CID 126496979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).