(2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol

C20H24O2 — CID 11087764

IUPAC(2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol
SMILESC[C@@]12C[C@H](O)[C@@]3(C)CCC4=C(CCc5cc(O)ccc54)[C@@]13C2
InChIInChI=1S/C20H24O2/c1-18-10-17(22)19(2)8-7-15-14-5-4-13(21)9-12(14)3-6-16(15)20(18,19)11-18/h4-5,9,17,21-22H,3,6-8,10-11H2,1-2H3/t17-,18-,19+,20-/m0/s1
InChIKeyOLLIOMGBZWBHPE-HAGHYFMRSA-N
MW296.41 g/mol
LogP4.05
Rot. Bonds

About (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol

(2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol (PubChem CID 11087764) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol.

Molecular Properties

Compound Name(2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol
PubChem CID11087764
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol
SMILESC[C@@]12C[C@H](O)[C@@]3(C)CCC4=C(CCc5cc(O)ccc54)[C@@]13C2
InChIInChI=1S/C20H24O2/c1-18-10-17(22)19(2)8-7-15-14-5-4-13(21)9-12(14)3-6-16(15)20(18,19)11-18/h4-5,9,17,21-22H,3,6-8,10-11H2,1-2H3/t17-,18-,19+,20-/m0/s1
InChIKeyOLLIOMGBZWBHPE-HAGHYFMRSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol?
The IUPAC name of (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol (CID 11087764) is (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol.
What is the SMILES notation for (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol?
The canonical SMILES for (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol is C[C@@]12C[C@H](O)[C@@]3(C)CCC4=C(CCc5cc(O)ccc54)[C@@]13C2.
What is the InChIKey of (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol?
The InChIKey is OLLIOMGBZWBHPE-HAGHYFMRSA-N. The full InChI is InChI=1S/C20H24O2/c1-18-10-17(22)19(2)8-7-15-14-5-4-13(21)9-12(14)3-6-16(15)20(18,19)11-18/h4-5,9,17,21-22H,3,6-8,10-11H2,1-2H3/t17-,18-,19+,20-/m0/s1.
What are the key properties of (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol?
(2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol has a molecular weight of 296.41 g/mol, XLogP of 4.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S,7S)-4,7-dimethylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-1(10),11(16),12,14-tetraene-6,14-diol is sourced from PubChem (CID 11087764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).