8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene

C20H30O4 — CID 15508540

IUPAC8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene
SMILESC=COCCOCC1C2CC(C3CC=CC23)C1COCCOC=C
InChIInChI=1S/C20H30O4/c1-3-21-8-10-23-13-19-17-12-18(16-7-5-6-15(16)17)20(19)14-24-11-9-22-4-2/h3-6,15-20H,1-2,7-14H2
InChIKeyYDOADJNPTDAYCY-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.41
Rot. Bonds12

About 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene

8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 15508540) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene
PubChem CID15508540
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene
SMILESC=COCCOCC1C2CC(C3CC=CC23)C1COCCOC=C
InChIInChI=1S/C20H30O4/c1-3-21-8-10-23-13-19-17-12-18(16-7-5-6-15(16)17)20(19)14-24-11-9-22-4-2/h3-6,15-20H,1-2,7-14H2
InChIKeyYDOADJNPTDAYCY-UHFFFAOYSA-N
XLogP3.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene (CID 15508540) is 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene is C=COCCOCC1C2CC(C3CC=CC23)C1COCCOC=C.
What is the InChIKey of 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is YDOADJNPTDAYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-3-21-8-10-23-13-19-17-12-18(16-7-5-6-15(16)17)20(19)14-24-11-9-22-4-2/h3-6,15-20H,1-2,7-14H2.
What are the key properties of 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene?
8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 334.46 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(2-ethenoxyethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 15508540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).