2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol

C14H30O7 — CID 162146312

IUPAC2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(O)COC(C)CO.CCOCCOCCOC(C)=O
InChIInChI=1S/C8H16O4.C6H14O3/c1-3-10-4-5-11-6-7-12-8(2)9;1-5(8)4-9-6(2)3-7/h3-7H2,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyZKPICBNNFZSBHH-UHFFFAOYSA-N
MW310.39 g/mol
LogP0.37
Rot. Bonds11

About 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol

2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol (PubChem CID 162146312) has the molecular formula C14H30O7 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol
PubChem CID162146312
Molecular FormulaC14H30O7
Molecular Weight310.39 g/mol
Exact Mass310.20
IUPAC Name2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(O)COC(C)CO.CCOCCOCCOC(C)=O
InChIInChI=1S/C8H16O4.C6H14O3/c1-3-10-4-5-11-6-7-12-8(2)9;1-5(8)4-9-6(2)3-7/h3-7H2,1-2H3;5-8H,3-4H2,1-2H3
InChIKeyZKPICBNNFZSBHH-UHFFFAOYSA-N
XLogP0.37
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;ethyl acetate;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87173315
2-(2-ethoxypropoxy)propyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 158412024
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22023985
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
CID 23067081
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-(2-hydroxypropoxy)propan-1-ol
CID 22918006
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 22918050
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol (CID 162146312) is 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol is CC(O)COC(C)CO.CCOCCOCCOC(C)=O.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol?
The InChIKey is ZKPICBNNFZSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.C6H14O3/c1-3-10-4-5-11-6-7-12-8(2)9;1-5(8)4-9-6(2)3-7/h3-7H2,1-2H3;5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol?
2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol has a molecular weight of 310.39 g/mol, XLogP of 0.37, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 162146312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).