9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C16H24O2 — CID 59748363

IUPAC9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCOCC1C(COC)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C16H24O2/c1-17-7-13-11-6-12(14(13)8-18-2)16-10-4-3-9(5-10)15(11)16/h3-4,9-16H,5-8H2,1-2H3
InChIKeyHTAYZQOMCNXYKX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.60
Rot. Bonds4

About 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 59748363) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID59748363
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESCOCC1C(COC)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C16H24O2/c1-17-7-13-11-6-12(14(13)8-18-2)16-10-4-3-9(5-10)15(11)16/h3-4,9-16H,5-8H2,1-2H3
InChIKeyHTAYZQOMCNXYKX-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 59748363) is 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is COCC1C(COC)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is HTAYZQOMCNXYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-17-7-13-11-6-12(14(13)8-18-2)16-10-4-3-9(5-10)15(11)16/h3-4,9-16H,5-8H2,1-2H3.
What are the key properties of 9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 248.37 g/mol, XLogP of 2.60, 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)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 59748363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).