1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene

C24H38OS — CID 144560957

IUPAC1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene
SMILESCCCC(CC)c1cc(C2CCCCC2)cc(C2CCCCC2)c1SO
InChIInChI=1S/C24H38OS/c1-3-11-18(4-2)22-16-21(19-12-7-5-8-13-19)17-23(24(22)26-25)20-14-9-6-10-15-20/h16-20,25H,3-15H2,1-2H3
InChIKeyJWEXDQABAUEIMC-UHFFFAOYSA-N
MW374.63 g/mol
LogP8.64
Rot. Bonds7

About 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene

1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene (PubChem CID 144560957) has the molecular formula C24H38OS and a molecular weight of 374.63 g/mol. Its IUPAC name is 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene.

Molecular Properties

Compound Name1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene
PubChem CID144560957
Molecular FormulaC24H38OS
Molecular Weight374.63 g/mol
Exact Mass374.26
IUPAC Name1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene
SMILESCCCC(CC)c1cc(C2CCCCC2)cc(C2CCCCC2)c1SO
InChIInChI=1S/C24H38OS/c1-3-11-18(4-2)22-16-21(19-12-7-5-8-13-19)17-23(24(22)26-25)20-14-9-6-10-15-20/h16-20,25H,3-15H2,1-2H3
InChIKeyJWEXDQABAUEIMC-UHFFFAOYSA-N
XLogP8.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.63
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-dicyclohexyl-2-[fluoro(hydroxysulfanyl)methyl]sulfanyloxy-3-hexan-3-ylbenzene
CID 144690751
2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol
CID 144690610
5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
CID 123832552
1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
CID 143194655
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
1,3,5-tricyclopentylbenzene
CID 611596
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 19940310
1,3,5-tricyclohexyl-2-methoxybenzene
CID 123898644
1,3,5-tricyclohexyl-2-(disulfanylmethyl)benzene
CID 142309902
2-cyclohexyl-4-[(5-heptan-3-yl-4-hydroxy-2-methylphenyl)-(2-hydroxyphenyl)methyl]-5-methylphenol
CID 145179128
CID 91016004
CID 91016004
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
CID 139824988

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene?
The IUPAC name of 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene (CID 144560957) is 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene.
What is the SMILES notation for 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene?
The canonical SMILES for 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene is CCCC(CC)c1cc(C2CCCCC2)cc(C2CCCCC2)c1SO.
What is the InChIKey of 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene?
The InChIKey is JWEXDQABAUEIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38OS/c1-3-11-18(4-2)22-16-21(19-12-7-5-8-13-19)17-23(24(22)26-25)20-14-9-6-10-15-20/h16-20,25H,3-15H2,1-2H3.
What are the key properties of 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene?
1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene has a molecular weight of 374.63 g/mol, XLogP of 8.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene is sourced from PubChem (CID 144560957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).