9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene

C14H20O2 — CID 101038950

IUPAC9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene
SMILESCOCC1C2C=CC(C3C=CC32)C1COC
InChIInChI=1S/C14H20O2/c1-15-7-13-11-5-6-12(14(13)8-16-2)10-4-3-9(10)11/h3-6,9-14H,7-8H2,1-2H3
InChIKeyQICSDWAJHVTQRB-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.13
Rot. Bonds4

About 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene

9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene (PubChem CID 101038950) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene.

Molecular Properties

Compound Name9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene
PubChem CID101038950
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene
SMILESCOCC1C2C=CC(C3C=CC32)C1COC
InChIInChI=1S/C14H20O2/c1-15-7-13-11-5-6-12(14(13)8-16-2)10-4-3-9(10)11/h3-6,9-14H,7-8H2,1-2H3
InChIKeyQICSDWAJHVTQRB-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene?
The IUPAC name of 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene (CID 101038950) is 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene.
What is the SMILES notation for 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene?
The canonical SMILES for 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene is COCC1C2C=CC(C3C=CC32)C1COC.
What is the InChIKey of 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene?
The InChIKey is QICSDWAJHVTQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-15-7-13-11-5-6-12(14(13)8-16-2)10-4-3-9(10)11/h3-6,9-14H,7-8H2,1-2H3.
What are the key properties of 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene?
9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene has a molecular weight of 220.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene is sourced from PubChem (CID 101038950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).