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

C20H26O2 — CID 22967748

IUPAC(1-methylcyclohex-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=CCCC1
InChIInChI=1S/C20H26O2/c1-20(7-3-2-4-8-20)22-19(21)16-11-14-10-15(16)18-13-6-5-12(9-13)17(14)18/h3,5-7,12-18H,2,4,8-11H2,1H3
InChIKeyZFGSUOAXPSKTGX-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.12
Rot. Bonds2

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

(1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (PubChem CID 22967748) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.

Molecular Properties

Compound Name(1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
PubChem CID22967748
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(1-methylcyclohex-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=CCCC1
InChIInChI=1S/C20H26O2/c1-20(7-3-2-4-8-20)22-19(21)16-11-14-10-15(16)18-13-6-5-12(9-13)17(14)18/h3,5-7,12-18H,2,4,8-11H2,1H3
InChIKeyZFGSUOAXPSKTGX-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.12
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'}

Analyze (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate with MolForge

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Related Compounds

(1-cyclohexylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;(1-cyclohexylcyclohexyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;bis((1-cyclohexylcyclopentyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate)
CID 162019412
(1-methylcyclopent-2-en-1-yl) 10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane-4-carboxylate
CID 158936368
(1-ethylcyclooctyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172737418
methyl (1R,3R,6R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 11183564
cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
CID 157102741
[2-(1-methylcyclohexyl)oxy-2-oxoethyl] tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172846129
(2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172715167
(1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172730813
(1-ethylcyclohex-2-en-1-yl) 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 22967756
1-cyclooctyloxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172815465
(1R,2R,3S,4R,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 177458663
2-hydroxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 23377191

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The IUPAC name of (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (CID 22967748) is (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.
What is the SMILES notation for (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The canonical SMILES for (1-methylcyclohex-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=CCCC1.
What is the InChIKey of (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The InChIKey is ZFGSUOAXPSKTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-20(7-3-2-4-8-20)22-19(21)16-11-14-10-15(16)18-13-6-5-12(9-13)17(14)18/h3,5-7,12-18H,2,4,8-11H2,1H3.
What are the key properties of (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
(1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is sourced from PubChem (CID 22967748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).