1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane

C21H38O3 — CID 58898425

IUPAC1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane
SMILESC=COCCCCC(CC)(CCCCOC=C)CCCCOC=C
InChIInChI=1S/C21H38O3/c1-5-21(15-9-12-18-22-6-2,16-10-13-19-23-7-3)17-11-14-20-24-8-4/h6-8H,2-5,9-20H2,1H3
InChIKeyMCVCVGGTWNTAQY-UHFFFAOYSA-N
MW338.53 g/mol
LogP6.37
Rot. Bonds19

About 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane

1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane (PubChem CID 58898425) has the molecular formula C21H38O3 and a molecular weight of 338.53 g/mol. Its IUPAC name is 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane.

Molecular Properties

Compound Name1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane
PubChem CID58898425
Molecular FormulaC21H38O3
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Name1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane
SMILESC=COCCCCC(CC)(CCCCOC=C)CCCCOC=C
InChIInChI=1S/C21H38O3/c1-5-21(15-9-12-18-22-6-2,16-10-13-19-23-7-3)17-11-14-20-24-8-4/h6-8H,2-5,9-20H2,1H3
InChIKeyMCVCVGGTWNTAQY-UHFFFAOYSA-N
XLogP6.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane?
The IUPAC name of 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane (CID 58898425) is 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane.
What is the SMILES notation for 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane?
The canonical SMILES for 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane is C=COCCCCC(CC)(CCCCOC=C)CCCCOC=C.
What is the InChIKey of 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane?
The InChIKey is MCVCVGGTWNTAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3/c1-5-21(15-9-12-18-22-6-2,16-10-13-19-23-7-3)17-11-14-20-24-8-4/h6-8H,2-5,9-20H2,1H3.
What are the key properties of 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane?
1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane has a molecular weight of 338.53 g/mol, XLogP of 6.37, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(ethenoxy)-5-(4-ethenoxybutyl)-5-ethylnonane is sourced from PubChem (CID 58898425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).