10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

C34H38 — CID 11496040

IUPAC10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
SMILESCC1C2=CC(C(C)(C)C)=C/C1=c1\cccc\c1=C1/C=C(C(C)(C)C)C=C(c3ccccc32)C1C
InChIInChI=1S/C34H38/c1-21-29-17-23(33(3,4)5)18-30(21)26-14-10-12-16-28(26)32-20-24(34(6,7)8)19-31(22(32)2)27-15-11-9-13-25(27)29/h9-22H,1-8H3/b29-25-,30-26-,31-27-,32-28-
InChIKeySHSFQFJAKOJRAG-ZRTCEIMWSA-N
MW446.68 g/mol
LogP7.71
Rot. Bonds

About 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (PubChem CID 11496040) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
PubChem CID11496040
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
SMILESCC1C2=CC(C(C)(C)C)=C/C1=c1\cccc\c1=C1/C=C(C(C)(C)C)C=C(c3ccccc32)C1C
InChIInChI=1S/C34H38/c1-21-29-17-23(33(3,4)5)18-30(21)26-14-10-12-16-28(26)32-20-24(34(6,7)8)19-31(22(32)2)27-15-11-9-13-25(27)29/h9-22H,1-8H3/b29-25-,30-26-,31-27-,32-28-
InChIKeySHSFQFJAKOJRAG-ZRTCEIMWSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene with MolForge

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Related Compounds

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1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 131725120
1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
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CID 173061024
CID 173061024
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CID 175472927

Frequently Asked Questions

What is the IUPAC name of 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
The IUPAC name of 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (CID 11496040) is 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
The canonical SMILES for 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is CC1C2=CC(C(C)(C)C)=C/C1=c1\cccc\c1=C1/C=C(C(C)(C)C)C=C(c3ccccc32)C1C.
What is the InChIKey of 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
The InChIKey is SHSFQFJAKOJRAG-ZRTCEIMWSA-N. The full InChI is InChI=1S/C34H38/c1-21-29-17-23(33(3,4)5)18-30(21)26-14-10-12-16-28(26)32-20-24(34(6,7)8)19-31(22(32)2)27-15-11-9-13-25(27)29/h9-22H,1-8H3/b29-25-,30-26-,31-27-,32-28-.
What are the key properties of 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene has a molecular weight of 446.68 g/mol, XLogP of 7.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,21-ditert-butyl-23,24-dimethylpentacyclo[17.3.1.18,12.02,7.013,18]tetracosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 11496040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).