6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane

C26H40 — CID 91007754

IUPAC6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
SMILESCC1CC2CCC3C4CCC5C(C)CC6CCC(C7CCC1C2C37)C4C65
InChIInChI=1S/C26H40/c1-13-11-15-3-5-19-22-10-8-18-14(2)12-16-4-6-20(26(22)24(16)18)21-9-7-17(13)23(15)25(19)21/h13-26H,3-12H2,1-2H3
InChIKeyKNSJSCPHBQCCIG-UHFFFAOYSA-N
MW352.61 g/mol
LogP6.65
Rot. Bonds

About 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane

6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane (PubChem CID 91007754) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane.

Molecular Properties

Compound Name6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
PubChem CID91007754
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
SMILESCC1CC2CCC3C4CCC5C(C)CC6CCC(C7CCC1C2C37)C4C65
InChIInChI=1S/C26H40/c1-13-11-15-3-5-19-22-10-8-18-14(2)12-16-4-6-20(26(22)24(16)18)21-9-7-17(13)23(15)25(19)21/h13-26H,3-12H2,1-2H3
InChIKeyKNSJSCPHBQCCIG-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane with MolForge

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Related Compounds

(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
CID 90872999
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
7-methyltricyclo[4.3.0.02,9]nonane
CID 152833936
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-(2-cyclopropylcyclopropyl)-2-(2-methylcyclopropyl)cyclopropane;1-(2-cyclopropylcyclopropyl)-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-cyclopropyl-2-(2-methylcyclopropyl)cyclopropane
CID 165057810
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane
CID 164717354

Frequently Asked Questions

What is the IUPAC name of 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The IUPAC name of 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane (CID 91007754) is 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane.
What is the SMILES notation for 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The canonical SMILES for 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane is CC1CC2CCC3C4CCC5C(C)CC6CCC(C7CCC1C2C37)C4C65.
What is the InChIKey of 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
The InChIKey is KNSJSCPHBQCCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-13-11-15-3-5-19-22-10-8-18-14(2)12-16-4-6-20(26(22)24(16)18)21-9-7-17(13)23(15)25(19)21/h13-26H,3-12H2,1-2H3.
What are the key properties of 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane?
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane has a molecular weight of 352.61 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane is sourced from PubChem (CID 91007754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).