3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene

C16H16 — CID 22016155

IUPAC3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene
SMILESCC1Cc2c1c1c(c3ccccc23)C(C)C1
InChIInChI=1S/C16H16/c1-9-7-13-11-5-3-4-6-12(11)15-10(2)8-14(15)16(9)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUDKHDSFRWWYOTB-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.16
Rot. Bonds

About 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene

3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene (PubChem CID 22016155) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene.

Molecular Properties

Compound Name3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene
PubChem CID22016155
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene
SMILESCC1Cc2c1c1c(c3ccccc23)C(C)C1
InChIInChI=1S/C16H16/c1-9-7-13-11-5-3-4-6-12(11)15-10(2)8-14(15)16(9)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyUDKHDSFRWWYOTB-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene?
The IUPAC name of 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene (CID 22016155) is 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene.
What is the SMILES notation for 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene?
The canonical SMILES for 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene is CC1Cc2c1c1c(c3ccccc23)C(C)C1.
What is the InChIKey of 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene?
The InChIKey is UDKHDSFRWWYOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-9-7-13-11-5-3-4-6-12(11)15-10(2)8-14(15)16(9)13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene?
3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene has a molecular weight of 208.30 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyltetracyclo[8.4.0.02,5.06,9]tetradeca-1(14),2(5),6(9),10,12-pentaene is sourced from PubChem (CID 22016155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).