6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one

C14H18O — CID 73311102

IUPAC6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one
SMILESC=C1CC23C=CCCC2(C)C(=O)CC1C3
InChIInChI=1S/C14H18O/c1-10-8-14-6-4-3-5-13(14,2)12(15)7-11(10)9-14/h4,6,11H,1,3,5,7-9H2,2H3
InChIKeyATZGRQGWBVGVFK-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.27
Rot. Bonds

About 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one

6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one (PubChem CID 73311102) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one.

Molecular Properties

Compound Name6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one
PubChem CID73311102
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one
SMILESC=C1CC23C=CCCC2(C)C(=O)CC1C3
InChIInChI=1S/C14H18O/c1-10-8-14-6-4-3-5-13(14,2)12(15)7-11(10)9-14/h4,6,11H,1,3,5,7-9H2,2H3
InChIKeyATZGRQGWBVGVFK-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130831423
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CID 102083414
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CID 24808693
(1R,4S,5S,9R,10S,11S,13S)-11-hydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-2-one
CID 102348738
4,6a-dimethyl-5-methylidene-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 20645018
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
(1S,6S,7R,9R)-7-hydroxy-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-4-one
CID 12002654
(1R,4S,9S,10R,13S)-9,13-dimethyl-5-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-7-ene-6,14-dione
CID 162646731

Frequently Asked Questions

What is the IUPAC name of 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one?
The IUPAC name of 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one (CID 73311102) is 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one.
What is the SMILES notation for 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one?
The canonical SMILES for 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one is C=C1CC23C=CCCC2(C)C(=O)CC1C3.
What is the InChIKey of 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one?
The InChIKey is ATZGRQGWBVGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-8-14-6-4-3-5-13(14,2)12(15)7-11(10)9-14/h4,6,11H,1,3,5,7-9H2,2H3.
What are the key properties of 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one?
6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one has a molecular weight of 202.30 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one is sourced from PubChem (CID 73311102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).