1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate

C26H48O — CID 169431622

IUPAC1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
SMILESCC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.O
InChIInChI=1S/C26H46.H2O/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;/h19-26H,3-18H2,1-2H3;1H2
InChIKeyVARGTFPYZBCXLP-UHFFFAOYSA-N
MW376.67 g/mol
LogP7.43
Rot. Bonds3

About 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate

1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate (PubChem CID 169431622) has the molecular formula C26H48O and a molecular weight of 376.67 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
PubChem CID169431622
Molecular FormulaC26H48O
Molecular Weight376.67 g/mol
Exact Mass376.37
IUPAC Name1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
SMILESCC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.O
InChIInChI=1S/C26H46.H2O/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;/h19-26H,3-18H2,1-2H3;1H2
InChIKeyVARGTFPYZBCXLP-UHFFFAOYSA-N
XLogP7.43
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate with MolForge

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Related Compounds

1-methyl-4-(4-methylcyclohexyl)cyclohexane
CID 90698417
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-thiol
CID 88553136
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
bis(1,4-dimethylcyclohexane);methane
CID 161326462
bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);molecular hydrogen;1,2,3-trimethyl-5-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160608283
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
1-cyclohexyl-4-methylcyclohexane;bis(yttrium)
CID 18720967
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 160901887
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate?
The IUPAC name of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate (CID 169431622) is 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate.
What is the SMILES notation for 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate?
The canonical SMILES for 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate is CC1CCC(C2CCC(C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.O.
What is the InChIKey of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate?
The InChIKey is VARGTFPYZBCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46.H2O/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22;/h19-26H,3-18H2,1-2H3;1H2.
What are the key properties of 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate?
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate has a molecular weight of 376.67 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate is sourced from PubChem (CID 169431622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).