2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane

C32H62OS — CID 141360510

IUPAC2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane
SMILESCCCCCCC1CCCCC1(CC(C)C)S(=O)C1(CC(C)C)CCCCC1CCCCCC
InChIInChI=1S/C32H62OS/c1-7-9-11-13-19-29-21-15-17-23-31(29,25-27(3)4)34(33)32(26-28(5)6)24-18-16-22-30(32)20-14-12-10-8-2/h27-30H,7-26H2,1-6H3
InChIKeyLXJAOMGKHZAVHK-UHFFFAOYSA-N
MW494.91 g/mol
LogP10.63
Rot. Bonds16

About 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane

2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane (PubChem CID 141360510) has the molecular formula C32H62OS and a molecular weight of 494.91 g/mol. Its IUPAC name is 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane
PubChem CID141360510
Molecular FormulaC32H62OS
Molecular Weight494.91 g/mol
Exact Mass494.45
IUPAC Name2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane
SMILESCCCCCCC1CCCCC1(CC(C)C)S(=O)C1(CC(C)C)CCCCC1CCCCCC
InChIInChI=1S/C32H62OS/c1-7-9-11-13-19-29-21-15-17-23-31(29,25-27(3)4)34(33)32(26-28(5)6)24-18-16-22-30(32)20-14-12-10-8-2/h27-30H,7-26H2,1-6H3
InChIKeyLXJAOMGKHZAVHK-UHFFFAOYSA-N
XLogP10.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.91
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
4-octylspiro[4.5]decane
CID 139968258
1,1-dimethoxy-2-octylcyclododecane
CID 134883102
5-hexadecyl-2-oxaspiro[3.5]nonane-1,3-dione
CID 54188835
4-hexyl-3,3-dimethyl-1-pentan-2-ylpyrrolidine
CID 91396905
phosphane;1,1,2-trihexyl-6-octylcyclohexane
CID 118159998
1-(1,2-dipropylcyclohexyl)hexadecan-1-amine
CID 19862394
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride
CID 173360909
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
1-cyclopropyl-2-pentylcyclopentan-1-ol
CID 118117047

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane?
The IUPAC name of 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane (CID 141360510) is 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane?
The canonical SMILES for 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane is CCCCCCC1CCCCC1(CC(C)C)S(=O)C1(CC(C)C)CCCCC1CCCCCC.
What is the InChIKey of 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane?
The InChIKey is LXJAOMGKHZAVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62OS/c1-7-9-11-13-19-29-21-15-17-23-31(29,25-27(3)4)34(33)32(26-28(5)6)24-18-16-22-30(32)20-14-12-10-8-2/h27-30H,7-26H2,1-6H3.
What are the key properties of 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane?
2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane has a molecular weight of 494.91 g/mol, XLogP of 10.63, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-[2-hexyl-1-(2-methylpropyl)cyclohexyl]sulfinyl-1-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 141360510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).