bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane

C26H48O8 — CID 159910299

IUPACbis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CCOCCOCCOC(C)=O.CCOCCOCCOC(C)=O
InChIInChI=1S/C10H16.2C8H16O4/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-10-4-5-11-6-7-12-8(2)9/h7-10H,1-6H2;2*3-7H2,1-2H3
InChIKeyNXCIMCNRYYYBDD-UHFFFAOYSA-N
MW488.66 g/mol
LogP4.04
Rot. Bonds14

About bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane

bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane (PubChem CID 159910299) has the molecular formula C26H48O8 and a molecular weight of 488.66 g/mol. Its IUPAC name is bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Namebis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane
PubChem CID159910299
Molecular FormulaC26H48O8
Molecular Weight488.66 g/mol
Exact Mass488.33
IUPAC Namebis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CCOCCOCCOC(C)=O.CCOCCOCCOC(C)=O
InChIInChI=1S/C10H16.2C8H16O4/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-10-4-5-11-6-7-12-8(2)9/h7-10H,1-6H2;2*3-7H2,1-2H3
InChIKeyNXCIMCNRYYYBDD-UHFFFAOYSA-N
XLogP4.04
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.66
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
3-ethoxypropyl acetate
CID 14847874
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
6-ethoxyhexyl acetate
CID 123617931
2-ethoxyacetic acid;2-ethoxyethyl acetate
CID 175733176
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040
[(1R,7S)-4-tricyclo[5.2.1.02,6]decanyl]methyl acetate
CID 121494090

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane?
The IUPAC name of bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane (CID 159910299) is bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane?
The canonical SMILES for bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.CCOCCOCCOC(C)=O.CCOCCOCCOC(C)=O.
What is the InChIKey of bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane?
The InChIKey is NXCIMCNRYYYBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C8H16O4/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-3-10-4-5-11-6-7-12-8(2)9/h7-10H,1-6H2;2*3-7H2,1-2H3.
What are the key properties of bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane?
bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane has a molecular weight of 488.66 g/mol, XLogP of 4.04, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 159910299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).