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

C26H46 — CID 159873536

IUPAC1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
SMILESCC1CCC(CC2CCC(C3CCC(C4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C26H46/c1-20-7-9-21(10-8-20)19-22-11-13-24(14-12-22)26-17-15-25(16-18-26)23-5-3-2-4-6-23/h20-26H,2-19H2,1H3
InChIKeyNMUMKHOOMSBYBX-UHFFFAOYSA-N
MW358.65 g/mol
LogP8.40
Rot. Bonds4

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

1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane (PubChem CID 159873536) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
PubChem CID159873536
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
SMILESCC1CCC(CC2CCC(C3CCC(C4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C26H46/c1-20-7-9-21(10-8-20)19-22-11-13-24(14-12-22)26-17-15-25(16-18-26)23-5-3-2-4-6-23/h20-26H,2-19H2,1H3
InChIKeyNMUMKHOOMSBYBX-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 144859072
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane (CID 159873536) is 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane is CC1CCC(CC2CCC(C3CCC(C4CCCCC4)CC3)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
The InChIKey is NMUMKHOOMSBYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-20-7-9-21(10-8-20)19-22-11-13-24(14-12-22)26-17-15-25(16-18-26)23-5-3-2-4-6-23/h20-26H,2-19H2,1H3.
What are the key properties of 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane has a molecular weight of 358.65 g/mol, XLogP of 8.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 159873536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).