1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene

C21H36O6 — CID 90748737

IUPAC1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene
SMILESC=COCCOCCC=C(CCCOCCOC=C)CCOCCOC=C
InChIInChI=1S/C21H36O6/c1-4-22-15-18-25-12-7-9-21(11-14-27-20-17-24-6-3)10-8-13-26-19-16-23-5-2/h4-6,9H,1-3,7-8,10-20H2
InChIKeyLSVMQPGGIRFVQQ-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.00
Rot. Bonds22

About 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene

1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene (PubChem CID 90748737) has the molecular formula C21H36O6 and a molecular weight of 384.51 g/mol. Its IUPAC name is 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene.

Molecular Properties

Compound Name1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene
PubChem CID90748737
Molecular FormulaC21H36O6
Molecular Weight384.51 g/mol
Exact Mass384.25
IUPAC Name1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene
SMILESC=COCCOCCC=C(CCCOCCOC=C)CCOCCOC=C
InChIInChI=1S/C21H36O6/c1-4-22-15-18-25-12-7-9-21(11-14-27-20-17-24-6-3)10-8-13-26-19-16-23-5-2/h4-6,9H,1-3,7-8,10-20H2
InChIKeyLSVMQPGGIRFVQQ-UHFFFAOYSA-N
XLogP4.00
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 139860327
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
CID 158513619
4-ethenoxybutan-1-ol;2-(2-ethenoxyethoxy)ethanol
CID 88574268
1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
CID 88634605
1-ethenoxy-2-ethoxyethane
CID 14510945
4-but-3-enoxybutanoic acid
CID 10329531

Frequently Asked Questions

What is the IUPAC name of 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene?
The IUPAC name of 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene (CID 90748737) is 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene.
What is the SMILES notation for 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene?
The canonical SMILES for 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene is C=COCCOCCC=C(CCCOCCOC=C)CCOCCOC=C.
What is the InChIKey of 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene?
The InChIKey is LSVMQPGGIRFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O6/c1-4-22-15-18-25-12-7-9-21(11-14-27-20-17-24-6-3)10-8-13-26-19-16-23-5-2/h4-6,9H,1-3,7-8,10-20H2.
What are the key properties of 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene?
1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene has a molecular weight of 384.51 g/mol, XLogP of 4.00, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(2-ethenoxyethoxy)-4-[2-(2-ethenoxyethoxy)ethyl]hept-3-ene is sourced from PubChem (CID 90748737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).