2,3-dipropoxypropyl acetate;ethylphosphane;methane

C17H45O4P — CID 158965859

IUPAC2,3-dipropoxypropyl acetate;ethylphosphane;methane
SMILESC.C.C.C.CCCOCC(COC(C)=O)OCCC.CCP
InChIInChI=1S/C11H22O4.C2H7P.4CH4/c1-4-6-13-8-11(14-7-5-2)9-15-10(3)12;1-2-3;;;;/h11H,4-9H2,1-3H3;2-3H2,1H3;4*1H4
InChIKeyJNEQDYHNEUFVNC-UHFFFAOYSA-N
MW344.52 g/mol
LogP5.20
Rot. Bonds9

About 2,3-dipropoxypropyl acetate;ethylphosphane;methane

2,3-dipropoxypropyl acetate;ethylphosphane;methane (PubChem CID 158965859) has the molecular formula C17H45O4P and a molecular weight of 344.52 g/mol. Its IUPAC name is 2,3-dipropoxypropyl acetate;ethylphosphane;methane.

Molecular Properties

Compound Name2,3-dipropoxypropyl acetate;ethylphosphane;methane
PubChem CID158965859
Molecular FormulaC17H45O4P
Molecular Weight344.52 g/mol
Exact Mass344.31
IUPAC Name2,3-dipropoxypropyl acetate;ethylphosphane;methane
SMILESC.C.C.C.CCCOCC(COC(C)=O)OCCC.CCP
InChIInChI=1S/C11H22O4.C2H7P.4CH4/c1-4-6-13-8-11(14-7-5-2)9-15-10(3)12;1-2-3;;;;/h11H,4-9H2,1-3H3;2-3H2,1H3;4*1H4
InChIKeyJNEQDYHNEUFVNC-UHFFFAOYSA-N
XLogP5.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 55.20
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

[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
CID 162455221
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415
(3-acetyloxy-2-octadecoxypropoxy)-hydroxy-oxophosphanium
CID 22673456
ethyl acetate;methanol;1-propoxypropane
CID 175234331
[3-acetyloxy-2-[4-(2-butoxyethylamino)-4-oxobutoxy]propyl] acetate
CID 59435480
N-methyl-2,3-dipropoxypropan-1-amine
CID 21133087
2-[2-(2-acetyloxyethoxy)-3-hydroxypropoxy]ethyl acetate
CID 176616060
2-[2-(2-acetyloxyethoxy)-3-aminopropoxy]ethyl acetate
CID 176791214
(2-hydroxy-4-propoxybutyl) acetate
CID 121280529

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropoxypropyl acetate;ethylphosphane;methane?
The IUPAC name of 2,3-dipropoxypropyl acetate;ethylphosphane;methane (CID 158965859) is 2,3-dipropoxypropyl acetate;ethylphosphane;methane.
What is the SMILES notation for 2,3-dipropoxypropyl acetate;ethylphosphane;methane?
The canonical SMILES for 2,3-dipropoxypropyl acetate;ethylphosphane;methane is C.C.C.C.CCCOCC(COC(C)=O)OCCC.CCP.
What is the InChIKey of 2,3-dipropoxypropyl acetate;ethylphosphane;methane?
The InChIKey is JNEQDYHNEUFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4.C2H7P.4CH4/c1-4-6-13-8-11(14-7-5-2)9-15-10(3)12;1-2-3;;;;/h11H,4-9H2,1-3H3;2-3H2,1H3;4*1H4.
What are the key properties of 2,3-dipropoxypropyl acetate;ethylphosphane;methane?
2,3-dipropoxypropyl acetate;ethylphosphane;methane has a molecular weight of 344.52 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropoxypropyl acetate;ethylphosphane;methane is sourced from PubChem (CID 158965859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).