3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene

C15H18 — CID 54191398

IUPAC3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene
SMILESCC1Cc2c1c1c(c3c2C(C)C3)C(C)C1
InChIInChI=1S/C15H18/c1-7-4-10-13(7)11-5-8(2)15(11)12-6-9(3)14(10)12/h7-9H,4-6H2,1-3H3
InChIKeyPITVMCLKDILWTP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.67
Rot. Bonds

About 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene

3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene (PubChem CID 54191398) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene.

Molecular Properties

Compound Name3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene
PubChem CID54191398
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene
SMILESCC1Cc2c1c1c(c3c2C(C)C3)C(C)C1
InChIInChI=1S/C15H18/c1-7-4-10-13(7)11-5-8(2)15(11)12-6-9(3)14(10)12/h7-9H,4-6H2,1-3H3
InChIKeyPITVMCLKDILWTP-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene with MolForge

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Related Compounds

3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene
CID 22016155
(2'S,3S,7R,8S,13R)-2',3,7,13-tetramethylspiro[12-oxa-11λ6-thiatetracyclo[8.4.0.02,5.06,9]tetradeca-1(10),2(5),6(9)-triene-8,1'-cyclopropane] 11,11-dioxide
CID 92954567
4,8,12-trimethylpentacyclo[8.5.1.03,6.07,16.011,14]hexadeca-1(16),2,6,10,14-pentaene-2-sulfonic acid
CID 22164634
decanedioic acid;7-methylbicyclo[4.2.0]octa-1,3,5-triene-2,5-dicarboxylic acid
CID 67068858
4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione
CID 22992707
(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine
CID 125469550
3-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
CID 19042303
1,2-dimethyl-3-azoniaspiro[2.2]pentane
CID 123348703
3-methylcyclobutene-1,2-diol
CID 88819177
5-methyl-2,3-diphenyl-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
CID 102442965
2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene
CID 142615413
2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene
CID 69300595

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene?
The IUPAC name of 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene (CID 54191398) is 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene.
What is the SMILES notation for 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene?
The canonical SMILES for 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene is CC1Cc2c1c1c(c3c2C(C)C3)C(C)C1.
What is the InChIKey of 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene?
The InChIKey is PITVMCLKDILWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-7-4-10-13(7)11-5-8(2)15(11)12-6-9(3)14(10)12/h7-9H,4-6H2,1-3H3.
What are the key properties of 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene?
3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene has a molecular weight of 198.31 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyltetracyclo[8.2.0.02,5.06,9]dodeca-1(10),2(5),6(9)-triene is sourced from PubChem (CID 54191398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).