1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane

C12H27O4P — CID 10468119

IUPAC1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
SMILESCCOC(C)(OCC)P(=O)(CC(C)C)OCC
InChIInChI=1S/C12H27O4P/c1-7-14-12(6,15-8-2)17(13,16-9-3)10-11(4)5/h11H,7-10H2,1-6H3
InChIKeyYJEISNAOYSTXAR-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.70
Rot. Bonds9

About 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane

1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane (PubChem CID 10468119) has the molecular formula C12H27O4P and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
PubChem CID10468119
Molecular FormulaC12H27O4P
Molecular Weight266.32 g/mol
Exact Mass266.16
IUPAC Name1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
SMILESCCOC(C)(OCC)P(=O)(CC(C)C)OCC
InChIInChI=1S/C12H27O4P/c1-7-14-12(6,15-8-2)17(13,16-9-3)10-11(4)5/h11H,7-10H2,1-6H3
InChIKeyYJEISNAOYSTXAR-UHFFFAOYSA-N
XLogP3.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[1,1-diethoxyethyl(ethoxy)phosphoryl]methylcyclohexane
CID 129364277
1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
N-[(1R)-2-[1,1-diethoxyethyl(ethoxy)phosphoryl]-1-phenylethyl]-2-methylpropane-2-sulfinamide
CID 102507556
1,1-diethoxyethyl(difluoromethyl)phosphinic acid
CID 19988595
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane
CID 19938716
3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302
1,1,1-triethoxypropan-2-ol
CID 87156976
ethoxy(2,4,4-trimethylpentyl)phosphinic acid
CID 87604919
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane?
The IUPAC name of 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane (CID 10468119) is 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane.
What is the SMILES notation for 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane?
The canonical SMILES for 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane is CCOC(C)(OCC)P(=O)(CC(C)C)OCC.
What is the InChIKey of 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane?
The InChIKey is YJEISNAOYSTXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P/c1-7-14-12(6,15-8-2)17(13,16-9-3)10-11(4)5/h11H,7-10H2,1-6H3.
What are the key properties of 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane?
1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane has a molecular weight of 266.32 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane is sourced from PubChem (CID 10468119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).