(1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane

C20H30 — CID 135035724

IUPAC(1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane
SMILESC1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]3C1C1[C@@H](CC[C@@H]12)[C@H]1CCC[C@H]13
InChIInChI=1S/C20H30/c1-3-11-12(4-1)16-8-10-18-14-6-2-5-13(14)17-9-7-15(11)19(17)20(16)18/h11-20H,1-10H2/t11-,12+,13+,14-,15-,16+,17+,18-,19?,20?
InChIKeyIPQAMHNEHKTFFN-ZTYLREPRSA-N
MW270.46 g/mol
LogP5.13
Rot. Bonds

About (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane

(1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane (PubChem CID 135035724) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane.

Molecular Properties

Compound Name(1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane
PubChem CID135035724
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name(1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane
SMILESC1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]3C1C1[C@@H](CC[C@@H]12)[C@H]1CCC[C@H]13
InChIInChI=1S/C20H30/c1-3-11-12(4-1)16-8-10-18-14-6-2-5-13(14)17-9-7-15(11)19(17)20(16)18/h11-20H,1-10H2/t11-,12+,13+,14-,15-,16+,17+,18-,19?,20?
InChIKeyIPQAMHNEHKTFFN-ZTYLREPRSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane?
The IUPAC name of (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane (CID 135035724) is (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane.
What is the SMILES notation for (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane?
The canonical SMILES for (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane is C1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]3C1C1[C@@H](CC[C@@H]12)[C@H]1CCC[C@H]13.
What is the InChIKey of (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane?
The InChIKey is IPQAMHNEHKTFFN-ZTYLREPRSA-N. The full InChI is InChI=1S/C20H30/c1-3-11-12(4-1)16-8-10-18-14-6-2-5-13(14)17-9-7-15(11)19(17)20(16)18/h11-20H,1-10H2/t11-,12+,13+,14-,15-,16+,17+,18-,19?,20?.
What are the key properties of (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane?
(1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane has a molecular weight of 270.46 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S,10R,11R,15S,16S)-hexacyclo[8.8.2.02,6.07,20.011,15.016,19]icosane is sourced from PubChem (CID 135035724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).