26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane

C51H84 — CID 170935482

IUPAC26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
SMILESCC(C)C1CC2C3CC(C4C(C)CCCC4C)CC4CC5CCC6C7CCCCC7C7C8CC(C(C)(C)C(C)C)CCC8C(C43)(C5C67)C2C1(C)C
InChIInChI=1S/C51H84/c1-27(2)42-26-39-38-24-32(43-29(5)14-13-15-30(43)6)23-33-22-31-18-20-37-35-16-11-12-17-36(35)44-40-25-34(49(7,8)28(3)4)19-21-41(40)51(46(33)38,47(31)45(37)44)48(39)50(42,9)10/h27-48H,11-26H2,1-10H3
InChIKeyCFGDPDCYHDXGRX-UHFFFAOYSA-N
MW697.23 g/mol
LogP14.08
Rot. Bonds4

About 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane

26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane (PubChem CID 170935482) has the molecular formula C51H84 and a molecular weight of 697.23 g/mol. Its IUPAC name is 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane.

Molecular Properties

Compound Name26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
PubChem CID170935482
Molecular FormulaC51H84
Molecular Weight697.23 g/mol
Exact Mass696.66
IUPAC Name26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
SMILESCC(C)C1CC2C3CC(C4C(C)CCCC4C)CC4CC5CCC6C7CCCCC7C7C8CC(C(C)(C)C(C)C)CCC8C(C43)(C5C67)C2C1(C)C
InChIInChI=1S/C51H84/c1-27(2)42-26-39-38-24-32(43-29(5)14-13-15-30(43)6)23-33-22-31-18-20-37-35-16-11-12-17-36(35)44-40-25-34(49(7,8)28(3)4)19-21-41(40)51(46(33)38,47(31)45(37)44)48(39)50(42,9)10/h27-48H,11-26H2,1-10H3
InChIKeyCFGDPDCYHDXGRX-UHFFFAOYSA-N
XLogP14.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.23
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane with MolForge

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Related Compounds

26-(1,8-dicyclohexyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-3,5-dimethylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane
CID 171769247
7'-tert-butyl-2,3,4-tricyclohexyl-22',23'-dimethylspiro[cyclobutane-1,13'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosane]
CID 168816999
(2S,3S,5S,8R,9R,10S,13R,14S,17R)-2,3,13-trimethyl-17-propan-2-yl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 118919808
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
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
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515
15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]
CID 168816899
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]
CID 168816571
2-(2,3-dimethylbutan-2-yl)-4-methylbicyclo[3.2.0]heptane
CID 123217578
1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 144809704
1,13,14,15,16,17,18-heptamethyl-1,2,3,4,4a,5,5a,6,6a,7,7a,8,8a,9,9a,10,11,12,13,13a,14,14a,15,15a,16,16a,17,17a,18,18a-triacontahydroheptacene;triacontacyclo[16.4.4.34,25.25,6.210,11.215,16.17,9.112,14.117,26.03,23.020,26.021,25.022,24.428,29.023,30.024,29.027,28.027,31.030,38.031,42.032,33.032,41.033,34.034,41.035,36.035,40.036,37.037,40.038,39.039,42]dotetracontane
CID 162010293

Frequently Asked Questions

What is the IUPAC name of 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
The IUPAC name of 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane (CID 170935482) is 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane.
What is the SMILES notation for 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
The canonical SMILES for 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane is CC(C)C1CC2C3CC(C4C(C)CCCC4C)CC4CC5CCC6C7CCCCC7C7C8CC(C(C)(C)C(C)C)CCC8C(C43)(C5C67)C2C1(C)C.
What is the InChIKey of 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
The InChIKey is CFGDPDCYHDXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H84/c1-27(2)42-26-39-38-24-32(43-29(5)14-13-15-30(43)6)23-33-22-31-18-20-37-35-16-11-12-17-36(35)44-40-25-34(49(7,8)28(3)4)19-21-41(40)51(46(33)38,47(31)45(37)44)48(39)50(42,9)10/h27-48H,11-26H2,1-10H3.
What are the key properties of 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane?
26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane has a molecular weight of 697.23 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(2,3-dimethylbutan-2-yl)-9-(2,6-dimethylcyclohexyl)-3,3-dimethyl-4-propan-2-ylnonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriacontane is sourced from PubChem (CID 170935482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).