3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]

C33H54 — CID 168816364

IUPAC3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]
SMILESCC1CC(C)CC2(C1)C1CCCCC1C1C3C4CCC5CCCCC5C4C(C)(C)C3CCC12
InChIInChI=1S/C33H54/c1-20-17-21(2)19-33(18-20)26-12-8-7-11-24(26)29-28(33)16-15-27-30(29)25-14-13-22-9-5-6-10-23(22)31(25)32(27,3)4/h20-31H,5-19H2,1-4H3
InChIKeyFVIPWUQHGGXPOM-UHFFFAOYSA-N
MW450.80 g/mol
LogP9.38
Rot. Bonds

About 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]

3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane] (PubChem CID 168816364) has the molecular formula C33H54 and a molecular weight of 450.80 g/mol. Its IUPAC name is 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane].

Molecular Properties

Compound Name3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]
PubChem CID168816364
Molecular FormulaC33H54
Molecular Weight450.80 g/mol
Exact Mass450.42
IUPAC Name3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]
SMILESCC1CC(C)CC2(C1)C1CCCCC1C1C3C4CCC5CCCCC5C4C(C)(C)C3CCC12
InChIInChI=1S/C33H54/c1-20-17-21(2)19-33(18-20)26-12-8-7-11-24(26)29-28(33)16-15-27-30(29)25-14-13-22-9-5-6-10-23(22)31(25)32(27,3)4/h20-31H,5-19H2,1-4H3
InChIKeyFVIPWUQHGGXPOM-UHFFFAOYSA-N
XLogP9.38
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 ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane] with MolForge

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Related Compounds

13',13'-dimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,18'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosane]
CID 168816965
3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]
CID 168816168
11,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
CID 143147674
(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
CID 140752694
2'-methylspiro[cyclopropane-1,4'-tricyclo[6.4.0.03,5]dodecane]
CID 163444946
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
1,1-dimethyl-3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2H-phenanthren-2-ol
CID 118905117
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane
CID 147978015
8'-(2,2-dimethylpropyl)-4-methyl-3,5-di(pentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.021,26]octacosane]
CID 168816781
4,4,6-trimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene
CID 142551529
22'-tert-butyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosane]
CID 168817062

Frequently Asked Questions

What is the IUPAC name of 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]?
The IUPAC name of 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane] (CID 168816364) is 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane].
What is the SMILES notation for 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]?
The canonical SMILES for 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane] is CC1CC(C)CC2(C1)C1CCCCC1C1C3C4CCC5CCCCC5C4C(C)(C)C3CCC12.
What is the InChIKey of 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]?
The InChIKey is FVIPWUQHGGXPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54/c1-20-17-21(2)19-33(18-20)26-12-8-7-11-24(26)29-28(33)16-15-27-30(29)25-14-13-22-9-5-6-10-23(22)31(25)32(27,3)4/h20-31H,5-19H2,1-4H3.
What are the key properties of 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]?
3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane] has a molecular weight of 450.80 g/mol, XLogP of 9.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane] is sourced from PubChem (CID 168816364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).