2-(2-ethenoxyethoxy)propyl acetate

C9H16O4 — CID 139969470

IUPAC2-(2-ethenoxyethoxy)propyl acetate
SMILESC=COCCOC(C)COC(C)=O
InChIInChI=1S/C9H16O4/c1-4-11-5-6-12-8(2)7-13-9(3)10/h4,8H,1,5-7H2,2-3H3
InChIKeyKLHGDUIPMUMCBX-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.11
Rot. Bonds7

About 2-(2-ethenoxyethoxy)propyl acetate

2-(2-ethenoxyethoxy)propyl acetate (PubChem CID 139969470) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)propyl acetate.

Molecular Properties

Compound Name2-(2-ethenoxyethoxy)propyl acetate
PubChem CID139969470
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2-ethenoxyethoxy)propyl acetate
SMILESC=COCCOC(C)COC(C)=O
InChIInChI=1S/C9H16O4/c1-4-11-5-6-12-8(2)7-13-9(3)10/h4,8H,1,5-7H2,2-3H3
InChIKeyKLHGDUIPMUMCBX-UHFFFAOYSA-N
XLogP1.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dipropylene glycol methyl ether acetate
CID 9815489
Propylene glycol dipropionate
CID 112002
1-Propanol, 2-(2-(acetyloxy)propoxy)-, 1-acetate
CID 525148
Tripropylene glycol, diacetate
CID 525188
Dipropylene glycol monomethyl ether acetate
CID 21896169
1-[(1-Propoxypropan-2-yl)oxy]propan-2-yl acetate
CID 21226486
Butane-2,3-diol acetate propanoate
CID 91748354
(2-Acetyloxy-3-propan-2-yloxypropyl) acetate
CID 20530135
2-(2-Ethoxybutoxy)ethylacetate
CID 87730024
Tripropylene glycol monomethyl ether acetate
CID 21946356
2-[2-(Propan-2-yloxy)ethoxy]ethyl acetate
CID 22016151
Tetrapropylene glycol, diacetate
CID 525184

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxy)propyl acetate?
The IUPAC name of 2-(2-ethenoxyethoxy)propyl acetate (CID 139969470) is 2-(2-ethenoxyethoxy)propyl acetate.
What is the SMILES notation for 2-(2-ethenoxyethoxy)propyl acetate?
The canonical SMILES for 2-(2-ethenoxyethoxy)propyl acetate is C=COCCOC(C)COC(C)=O.
What is the InChIKey of 2-(2-ethenoxyethoxy)propyl acetate?
The InChIKey is KLHGDUIPMUMCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-11-5-6-12-8(2)7-13-9(3)10/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-(2-ethenoxyethoxy)propyl acetate?
2-(2-ethenoxyethoxy)propyl acetate has a molecular weight of 188.22 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxy)propyl acetate is sourced from PubChem (CID 139969470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).