10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene

C13H18 — CID 154628501

IUPAC10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene
SMILESCC1CC23CC4C=CCC2C4C1C3
InChIInChI=1S/C13H18/c1-8-5-13-6-9-3-2-4-11(13)12(9)10(8)7-13/h2-3,8-12H,4-7H2,1H3
InChIKeyVLIYYRXMQIXSKZ-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.24
Rot. Bonds

About 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene

10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene (PubChem CID 154628501) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene.

Molecular Properties

Compound Name10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene
PubChem CID154628501
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene
SMILESCC1CC23CC4C=CCC2C4C1C3
InChIInChI=1S/C13H18/c1-8-5-13-6-9-3-2-4-11(13)12(9)10(8)7-13/h2-3,8-12H,4-7H2,1H3
InChIKeyVLIYYRXMQIXSKZ-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
The IUPAC name of 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene (CID 154628501) is 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene.
What is the SMILES notation for 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
The canonical SMILES for 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene is CC1CC23CC4C=CCC2C4C1C3.
What is the InChIKey of 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
The InChIKey is VLIYYRXMQIXSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-8-5-13-6-9-3-2-4-11(13)12(9)10(8)7-13/h2-3,8-12H,4-7H2,1H3.
What are the key properties of 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene has a molecular weight of 174.29 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene is sourced from PubChem (CID 154628501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).