(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol

C18H18O2 — CID 129387695

IUPAC(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol
SMILESCc1cc2c(cc1C)[C@H]1c3ccccc3[C@H]2[C@H](O)[C@H]1O
InChIInChI=1S/C18H18O2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15(13)17(19)18(16)20/h3-8,15-20H,1-2H3/t15-,16-,17+,18+/m1/s1
InChIKeyMKTIQGSWGWAWKH-BDXSIMOUSA-N
MW266.34 g/mol
LogP2.62
Rot. Bonds

About (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol

(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol (PubChem CID 129387695) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol.

Molecular Properties

Compound Name(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol
PubChem CID129387695
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol
SMILESCc1cc2c(cc1C)[C@H]1c3ccccc3[C@H]2[C@H](O)[C@H]1O
InChIInChI=1S/C18H18O2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15(13)17(19)18(16)20/h3-8,15-20H,1-2H3/t15-,16-,17+,18+/m1/s1
InChIKeyMKTIQGSWGWAWKH-BDXSIMOUSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol?
The IUPAC name of (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol (CID 129387695) is (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol.
What is the SMILES notation for (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol?
The canonical SMILES for (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol is Cc1cc2c(cc1C)[C@H]1c3ccccc3[C@H]2[C@H](O)[C@H]1O.
What is the InChIKey of (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol?
The InChIKey is MKTIQGSWGWAWKH-BDXSIMOUSA-N. The full InChI is InChI=1S/C18H18O2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15(13)17(19)18(16)20/h3-8,15-20H,1-2H3/t15-,16-,17+,18+/m1/s1.
What are the key properties of (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol?
(1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol has a molecular weight of 266.34 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,15S,16S)-4,5-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-15,16-diol is sourced from PubChem (CID 129387695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).