(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

C19H26O2 — CID 15476302

IUPAC(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(OC(=O)C2CC3C=CC2C3)CC2CC1C1CCCC21
InChIInChI=1S/C19H26O2/c1-19(10-13-9-17(19)15-4-2-3-14(13)15)21-18(20)16-8-11-5-6-12(16)7-11/h5-6,11-17H,2-4,7-10H2,1H3
InChIKeyQCRAWTNFYDTWSE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.96
Rot. Bonds2

About (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 15476302) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID15476302
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC1(OC(=O)C2CC3C=CC2C3)CC2CC1C1CCCC21
InChIInChI=1S/C19H26O2/c1-19(10-13-9-17(19)15-4-2-3-14(13)15)21-18(20)16-8-11-5-6-12(16)7-11/h5-6,11-17H,2-4,7-10H2,1H3
InChIKeyQCRAWTNFYDTWSE-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo[2.2.1]hept-2-ene;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 170852070
(2,3,3,4,4,5,5,6-Octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 57793475
(2,3,3,4,4,5,5,6-Octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 57793476
(2,3,3,4,4,5,5,6-Octafluoro-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 57793497
Tert-butyl 5-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139797070
Tert-butyl 5-fluorotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139805783
Tert-butyl 5-fluorohexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4-carboxylate
CID 139805784
Tert-butyl 4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 140475959
(1R,3R,6S,8S)-9,13-difluoro-12,12-dimethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-en-10-one
CID 23730909
8-Tricyclo[5.2.1.02,6]dec-3-enyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13762125
(8-Ethyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15476300
8-t-Butoxycarbonyltetracyclo[4.4.0.12,5.17,10]dodeca-3-ene
CID 15538966

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 15476302) is (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is CC1(OC(=O)C2CC3C=CC2C3)CC2CC1C1CCCC21.
What is the InChIKey of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is QCRAWTNFYDTWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-19(10-13-9-17(19)15-4-2-3-14(13)15)21-18(20)16-8-11-5-6-12(16)7-11/h5-6,11-17H,2-4,7-10H2,1H3.
What are the key properties of (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 15476302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).