heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane

C26H40 — CID 91488372

IUPACheptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane
SMILESC1CC2CCCC3C2C(C1)C1CCC2C4CCCC5CCCC(C54)C2C13
InChIInChI=1S/C26H40/c1-5-15-7-3-11-21-23(15)17(9-1)19-13-14-20-18-10-2-6-16-8-4-12-22(24(16)18)26(20)25(19)21/h15-26H,1-14H2
InChIKeyITDLGPDXYSOJFR-UHFFFAOYSA-N
MW352.61 g/mol
LogP6.94
Rot. Bonds

About heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane

heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane (PubChem CID 91488372) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane.

Molecular Properties

Compound Nameheptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane
PubChem CID91488372
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Nameheptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane
SMILESC1CC2CCCC3C2C(C1)C1CCC2C4CCCC5CCCC(C54)C2C13
InChIInChI=1S/C26H40/c1-5-15-7-3-11-21-23(15)17(9-1)19-13-14-20-18-10-2-6-16-8-4-12-22(24(16)18)26(20)25(19)21/h15-26H,1-14H2
InChIKeyITDLGPDXYSOJFR-UHFFFAOYSA-N
XLogP6.94
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 ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(7S,8S)-tetracyclo[5.4.0.02,6.08,11]undecane
CID 163896911
nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
CID 91087023
3-cyclopentyltricyclo[4.3.0.02,9]nonane
CID 163578521
pentacyclo[4.4.0.02,8.03,5.04,7]decane
CID 90487238
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
9-bromo-10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 90966230
tricosacyclo[27.9.7.79,25.710,20.46,42.228,44.05,39.033,45.035,43.037,41.146,48.014,65.016,63.018,61.024,59.040,50.047,52.049,56.051,58.053,60.054,66.055,62.057,64]hexahexacontane
CID 139213160
5,17,26,33-tetraphenylundecacyclo[22.13.2.17,11.02,20.04,18.06,16.021,38.025,34.027,32.035,39.015,40]tetracontane
CID 123405256
tetracyclo[6.5.2.04,15.011,14]pentadecane
CID 91584207
(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 143216402

Frequently Asked Questions

What is the IUPAC name of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane?
The IUPAC name of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane (CID 91488372) is heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane.
What is the SMILES notation for heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane?
The canonical SMILES for heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane is C1CC2CCCC3C2C(C1)C1CCC2C4CCCC5CCCC(C54)C2C13.
What is the InChIKey of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane?
The InChIKey is ITDLGPDXYSOJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-5-15-7-3-11-21-23(15)17(9-1)19-13-14-20-18-10-2-6-16-8-4-12-22(24(16)18)26(20)25(19)21/h15-26H,1-14H2.
What are the key properties of heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane?
heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane has a molecular weight of 352.61 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[15.7.1.14,8.02,16.03,13.021,25.012,26]hexacosane is sourced from PubChem (CID 91488372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).