ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene

C26H36 — CID 91347500

IUPACethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene
SMILESCC.CC.CC1(C)c2cccc3c2C2c4c1cccc4C(C)(C)C2CC3
InChIInChI=1S/C22H24.2C2H6/c1-21(2)14-8-5-7-13-11-12-17-20(18(13)14)19-15(21)9-6-10-16(19)22(17,3)4;2*1-2/h5-10,17,20H,11-12H2,1-4H3;2*1-2H3
InChIKeyCDFNUCJNROTBKZ-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.36
Rot. Bonds

About ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene

ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene (PubChem CID 91347500) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene.

Molecular Properties

Compound Nameethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene
PubChem CID91347500
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Nameethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene
SMILESCC.CC.CC1(C)c2cccc3c2C2c4c1cccc4C(C)(C)C2CC3
InChIInChI=1S/C22H24.2C2H6/c1-21(2)14-8-5-7-13-11-12-17-20(18(13)14)19-15(21)9-6-10-16(19)22(17,3)4;2*1-2/h5-10,17,20H,11-12H2,1-4H3;2*1-2H3
InChIKeyCDFNUCJNROTBKZ-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene?
The IUPAC name of ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene (CID 91347500) is ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene.
What is the SMILES notation for ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene?
The canonical SMILES for ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene is CC.CC.CC1(C)c2cccc3c2C2c4c1cccc4C(C)(C)C2CC3.
What is the InChIKey of ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene?
The InChIKey is CDFNUCJNROTBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24.2C2H6/c1-21(2)14-8-5-7-13-11-12-17-20(18(13)14)19-15(21)9-6-10-16(19)22(17,3)4;2*1-2/h5-10,17,20H,11-12H2,1-4H3;2*1-2H3.
What are the key properties of ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene?
ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene has a molecular weight of 348.57 g/mol, XLogP of 7.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,6,18,18-tetramethylpentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,10(15),11,13-hexaene is sourced from PubChem (CID 91347500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).