cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane

C20H30O2 — CID 157102741

IUPACcyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
SMILESCC.O=C(OC1CCCC1)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C18H24O2.C2H6/c19-18(20-13-3-1-2-4-13)15-9-12-8-14(15)17-11-6-5-10(7-11)16(12)17;1-2/h5-6,10-17H,1-4,7-9H2;1-2H3
InChIKeyAFYIOLAWLXYKCZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.59
Rot. Bonds2

About cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane

cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane (PubChem CID 157102741) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane.

Molecular Properties

Compound Namecyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
PubChem CID157102741
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Namecyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane
SMILESCC.O=C(OC1CCCC1)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C18H24O2.C2H6/c19-18(20-13-3-1-2-4-13)15-9-12-8-14(15)17-11-6-5-10(7-11)16(12)17;1-2/h5-6,10-17H,1-4,7-9H2;1-2H3
InChIKeyAFYIOLAWLXYKCZ-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.59
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 cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-cyclooctyloxy-2-oxoethyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 141353366
1-cyclooctyloxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172815465
methyl (1R,3R,6R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 11183564
(2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 59711456
(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
2-hydroxyethyl (2S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 71195761
(1-methylcyclohex-2-en-1-yl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 22967748
(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
[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172844405
(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-ethylcyclooctyl) tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 172737418

Frequently Asked Questions

What is the IUPAC name of cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane?
The IUPAC name of cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane (CID 157102741) is cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane.
What is the SMILES notation for cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane?
The canonical SMILES for cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane is CC.O=C(OC1CCCC1)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane?
The InChIKey is AFYIOLAWLXYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2.C2H6/c19-18(20-13-3-1-2-4-13)15-9-12-8-14(15)17-11-6-5-10(7-11)16(12)17;1-2/h5-6,10-17H,1-4,7-9H2;1-2H3.
What are the key properties of cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane?
cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane has a molecular weight of 302.46 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;ethane is sourced from PubChem (CID 157102741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).