hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane

C26H42 — CID 162283113

IUPAChexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
SMILESC1CCC2CC3C(CC2C1)C1CCCCC1C1CCC2CCCCC2C13
InChIInChI=1S/C26H42/c1-2-9-19-16-25-24(15-18(19)8-1)22-12-6-5-11-21(22)23-14-13-17-7-3-4-10-20(17)26(23)25/h17-26H,1-16H2
InChIKeyROPHUJIDSYULCS-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.47
Rot. Bonds

About hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane

hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane (PubChem CID 162283113) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane.

Molecular Properties

Compound Namehexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
PubChem CID162283113
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Namehexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
SMILESC1CCC2CC3C(CC2C1)C1CCCCC1C1CCC2CCCCC2C13
InChIInChI=1S/C26H42/c1-2-9-19-16-25-24(15-18(19)8-1)22-12-6-5-11-21(22)23-14-13-17-7-3-4-10-20(17)26(23)25/h17-26H,1-16H2
InChIKeyROPHUJIDSYULCS-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-10-[6-(1,2,3,4,4a,4b,5,6,7,8,8a,8b-dodecahydrobiphenylen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 144809758
heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane
CID 132990526
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene
CID 167402176
(6S)-6,7-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 91056108
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
tetracyclo[9.2.1.02,10.03,8]tetradecane
CID 6850833
octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
CID 54326568
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
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
3-cyclopentyltricyclo[4.3.0.02,9]nonane
CID 163578521

Frequently Asked Questions

What is the IUPAC name of hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane?
The IUPAC name of hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane (CID 162283113) is hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane.
What is the SMILES notation for hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane?
The canonical SMILES for hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane is C1CCC2CC3C(CC2C1)C1CCCCC1C1CCC2CCCCC2C13.
What is the InChIKey of hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane?
The InChIKey is ROPHUJIDSYULCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-2-9-19-16-25-24(15-18(19)8-1)22-12-6-5-11-21(22)23-14-13-17-7-3-4-10-20(17)26(23)25/h17-26H,1-16H2.
What are the key properties of hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane?
hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane has a molecular weight of 354.62 g/mol, XLogP of 7.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane is sourced from PubChem (CID 162283113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).