(1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

C19H24O2 — CID 22967746

IUPAC(1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESCC1(OC(=O)C2CC3CC2C2C4C=CC(C4)C32)C=CCC1
InChIInChI=1S/C19H24O2/c1-19(6-2-3-7-19)21-18(20)15-10-13-9-14(15)17-12-5-4-11(8-12)16(13)17/h2,4-6,11-17H,3,7-10H2,1H3
InChIKeyLHRUAMCCIMPBDG-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.73
Rot. Bonds2

About (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

(1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (PubChem CID 22967746) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
PubChem CID22967746
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESCC1(OC(=O)C2CC3CC2C2C4C=CC(C4)C32)C=CCC1
InChIInChI=1S/C19H24O2/c1-19(6-2-3-7-19)21-18(20)15-10-13-9-14(15)17-12-5-4-11(8-12)16(13)17/h2,4-6,11-17H,3,7-10H2,1H3
InChIKeyLHRUAMCCIMPBDG-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.73
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 (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The IUPAC name of (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (CID 22967746) is (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.
What is the SMILES notation for (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The canonical SMILES for (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is CC1(OC(=O)C2CC3CC2C2C4C=CC(C4)C32)C=CCC1.
What is the InChIKey of (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The InChIKey is LHRUAMCCIMPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-19(6-2-3-7-19)21-18(20)15-10-13-9-14(15)17-12-5-4-11(8-12)16(13)17/h2,4-6,11-17H,3,7-10H2,1H3.
What are the key properties of (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
(1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopent-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is sourced from PubChem (CID 22967746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).