1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene

C22H34O8 — CID 140750024

IUPAC1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene
SMILESC=COCCOCCOCCOc1cccc(OCCOCCOCCOC=C)c1
InChIInChI=1S/C22H34O8/c1-3-23-8-10-25-12-14-27-16-18-29-21-6-5-7-22(20-21)30-19-17-28-15-13-26-11-9-24-4-2/h3-7,20H,1-2,8-19H2
InChIKeyRKIGSBFVOQDQKI-UHFFFAOYSA-N
MW426.51 g/mol
LogP2.83
Rot. Bonds22

About 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene

1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene (PubChem CID 140750024) has the molecular formula C22H34O8 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene
PubChem CID140750024
Molecular FormulaC22H34O8
Molecular Weight426.51 g/mol
Exact Mass426.23
IUPAC Name1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene
SMILESC=COCCOCCOCCOc1cccc(OCCOCCOCCOC=C)c1
InChIInChI=1S/C22H34O8/c1-3-23-8-10-25-12-14-27-16-18-29-21-6-5-7-22(20-21)30-19-17-28-15-13-26-11-9-24-4-2/h3-7,20H,1-2,8-19H2
InChIKeyRKIGSBFVOQDQKI-UHFFFAOYSA-N
XLogP2.83
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

3-(2-ethenoxyethoxy)benzonitrile
CID 66734813
1-[3-(2-ethenoxyethoxy)phenyl]pyrrole-2,5-dione
CID 59193555
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
4-(2-ethenoxyethoxy)-1,2-dimethoxybenzene
CID 20722042
6-ethenoxyhexoxybenzene
CID 57094182
1-(2-ethenoxyethoxy)-4-methylbenzene
CID 21338012
1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
CID 59193557
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
3-(2-but-3-enoxyethoxy)benzonitrile
CID 43289826

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene (CID 140750024) is 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene is C=COCCOCCOCCOc1cccc(OCCOCCOCCOC=C)c1.
What is the InChIKey of 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene?
The InChIKey is RKIGSBFVOQDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O8/c1-3-23-8-10-25-12-14-27-16-18-29-21-6-5-7-22(20-21)30-19-17-28-15-13-26-11-9-24-4-2/h3-7,20H,1-2,8-19H2.
What are the key properties of 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene?
1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene has a molecular weight of 426.51 g/mol, XLogP of 2.83, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 140750024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).