10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene

C26H36 — CID 11013504

IUPAC10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
SMILESCc1cc2cc(c1)CCCCCCc1cc(C)cc(c1)CCCCCC2
InChIInChI=1S/C26H36/c1-21-15-23-11-7-3-5-9-13-25-17-22(2)18-26(20-25)14-10-6-4-8-12-24(16-21)19-23/h15-20H,3-14H2,1-2H3
InChIKeyBIAPACXMMVZSEI-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.31
Rot. Bonds

About 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene

10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene (PubChem CID 11013504) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene.

Molecular Properties

Compound Name10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
PubChem CID11013504
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
SMILESCc1cc2cc(c1)CCCCCCc1cc(C)cc(c1)CCCCCC2
InChIInChI=1S/C26H36/c1-21-15-23-11-7-3-5-9-13-25-17-22(2)18-26(20-25)14-10-6-4-8-12-24(16-21)19-23/h15-20H,3-14H2,1-2H3
InChIKeyBIAPACXMMVZSEI-UHFFFAOYSA-N
XLogP7.31
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 ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
The IUPAC name of 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene (CID 11013504) is 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene.
What is the SMILES notation for 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
The canonical SMILES for 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene is Cc1cc2cc(c1)CCCCCCc1cc(C)cc(c1)CCCCCC2.
What is the InChIKey of 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
The InChIKey is BIAPACXMMVZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-21-15-23-11-7-3-5-9-13-25-17-22(2)18-26(20-25)14-10-6-4-8-12-24(16-21)19-23/h15-20H,3-14H2,1-2H3.
What are the key properties of 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene has a molecular weight of 348.57 g/mol, XLogP of 7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,21-dimethyltricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene is sourced from PubChem (CID 11013504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).