6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane

C24H36S2 — CID 130352043

IUPAC6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane
SMILESCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)C2(C1)SCCS2
InChIInChI=1S/C24H36S2/c1-3-4-19-7-14-23(24(17-19)25-15-16-26-24)22-12-10-21(11-13-22)20-8-5-18(2)6-9-20/h5-6,8-9,19,21-23H,3-4,7,10-17H2,1-2H3
InChIKeyQWSUHMITXNWNDC-UHFFFAOYSA-N
MW388.69 g/mol
LogP7.66
Rot. Bonds4

About 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane

6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane (PubChem CID 130352043) has the molecular formula C24H36S2 and a molecular weight of 388.69 g/mol. Its IUPAC name is 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane.

Molecular Properties

Compound Name6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane
PubChem CID130352043
Molecular FormulaC24H36S2
Molecular Weight388.69 g/mol
Exact Mass388.23
IUPAC Name6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane
SMILESCCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)C2(C1)SCCS2
InChIInChI=1S/C24H36S2/c1-3-4-19-7-14-23(24(17-19)25-15-16-26-24)22-12-10-21(11-13-22)20-8-5-18(2)6-9-20/h5-6,8-9,19,21-23H,3-4,7,10-17H2,1-2H3
InChIKeyQWSUHMITXNWNDC-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 130352162
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4aR,4bR,8aR)-2-(4-methylphenyl)-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032637
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene
CID 70849692
2-hexyl-6-[4-(4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867836
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane?
The IUPAC name of 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane (CID 130352043) is 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane.
What is the SMILES notation for 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane?
The canonical SMILES for 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane is CCCC1CCC(C2CCC(c3ccc(C)cc3)CC2)C2(C1)SCCS2.
What is the InChIKey of 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane?
The InChIKey is QWSUHMITXNWNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36S2/c1-3-4-19-7-14-23(24(17-19)25-15-16-26-24)22-12-10-21(11-13-22)20-8-5-18(2)6-9-20/h5-6,8-9,19,21-23H,3-4,7,10-17H2,1-2H3.
What are the key properties of 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane?
6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane has a molecular weight of 388.69 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylphenyl)cyclohexyl]-9-propyl-1,4-dithiaspiro[4.5]decane is sourced from PubChem (CID 130352043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).