18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene

C20H20 — CID 58224098

IUPAC18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene
SMILESCC1(C)c2cccc3c2C2C(CCC21)c1ccccc1-3
InChIInChI=1S/C20H20/c1-20(2)16-9-5-8-14-12-6-3-4-7-13(12)15-10-11-17(20)19(15)18(14)16/h3-9,15,17,19H,10-11H2,1-2H3
InChIKeyHCWRELLPJQAJHA-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.24
Rot. Bonds

About 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene

18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene (PubChem CID 58224098) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene.

Molecular Properties

Compound Name18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene
PubChem CID58224098
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene
SMILESCC1(C)c2cccc3c2C2C(CCC21)c1ccccc1-3
InChIInChI=1S/C20H20/c1-20(2)16-9-5-8-14-12-6-3-4-7-13(12)15-10-11-17(20)19(15)18(14)16/h3-9,15,17,19H,10-11H2,1-2H3
InChIKeyHCWRELLPJQAJHA-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene?
The IUPAC name of 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene (CID 58224098) is 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene.
What is the SMILES notation for 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene?
The canonical SMILES for 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene is CC1(C)c2cccc3c2C2C(CCC21)c1ccccc1-3.
What is the InChIKey of 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene?
The InChIKey is HCWRELLPJQAJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-20(2)16-9-5-8-14-12-6-3-4-7-13(12)15-10-11-17(20)19(15)18(14)16/h3-9,15,17,19H,10-11H2,1-2H3.
What are the key properties of 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene?
18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene has a molecular weight of 260.38 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethylpentacyclo[13.2.1.04,17.05,10.011,16]octadeca-5,7,9,11(16),12,14-hexaene is sourced from PubChem (CID 58224098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).