3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]

C33H54 — CID 168816168

IUPAC3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]
SMILESCC1CC(C)C2C(C1)C1C3CC4CC5CCCCC5CC4C3CCC1C21CC(C)CC(C)C1
InChIInChI=1S/C33H54/c1-19-12-22(4)32-29(13-19)31-28-16-25-14-23-7-5-6-8-24(23)15-27(25)26(28)9-10-30(31)33(32)17-20(2)11-21(3)18-33/h19-32H,5-18H2,1-4H3
InChIKeyNZNABPYNZPTSCE-UHFFFAOYSA-N
MW450.80 g/mol
LogP9.24
Rot. Bonds

About 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]

3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane] (PubChem CID 168816168) has the molecular formula C33H54 and a molecular weight of 450.80 g/mol. Its IUPAC name is 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane].

Molecular Properties

Compound Name3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]
PubChem CID168816168
Molecular FormulaC33H54
Molecular Weight450.80 g/mol
Exact Mass450.42
IUPAC Name3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]
SMILESCC1CC(C)C2C(C1)C1C3CC4CC5CCCCC5CC4C3CCC1C21CC(C)CC(C)C1
InChIInChI=1S/C33H54/c1-19-12-22(4)32-29(13-19)31-28-16-25-14-23-7-5-6-8-24(23)15-27(25)26(28)9-10-30(31)33(32)17-20(2)11-21(3)18-33/h19-32H,5-18H2,1-4H3
InChIKeyNZNABPYNZPTSCE-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.80
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane] with MolForge

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Related Compounds

2-cyclohexyl-3,5,15'-trimethyl-5'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosane]
CID 168816964
3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]
CID 168816364
2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394
hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
CID 162283113
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
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
N-cyclohexyl-N-[4-[6-(2-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11,11a,11b-hexadecahydro-1H-benzo[a]fluoren-9-yl]cyclohexyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-amine
CID 171755049
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
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
2-methyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 71773994

Frequently Asked Questions

What is the IUPAC name of 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]?
The IUPAC name of 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane] (CID 168816168) is 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane].
What is the SMILES notation for 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]?
The canonical SMILES for 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane] is CC1CC(C)C2C(C1)C1C3CC4CC5CCCCC5CC4C3CCC1C21CC(C)CC(C)C1.
What is the InChIKey of 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]?
The InChIKey is NZNABPYNZPTSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54/c1-19-12-22(4)32-29(13-19)31-28-16-25-14-23-7-5-6-8-24(23)15-27(25)26(28)9-10-30(31)33(32)17-20(2)11-21(3)18-33/h19-32H,5-18H2,1-4H3.
What are the key properties of 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]?
3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane] has a molecular weight of 450.80 g/mol, XLogP of 9.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane] is sourced from PubChem (CID 168816168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).