1-methyl-4-(4-methylcyclohexyl)cyclohexane

C14H25+ — CID 90698417

IUPAC1-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILES[CH2+]C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C14H25/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h11-14H,1,3-10H2,2H3/q+1
InChIKeyIASYLRRMQMNXIC-UHFFFAOYSA-N
MW193.35 g/mol
LogP4.45
Rot. Bonds1

About 1-methyl-4-(4-methylcyclohexyl)cyclohexane

1-methyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 90698417) has the molecular formula C14H25+ and a molecular weight of 193.35 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID90698417
Molecular FormulaC14H25+
Molecular Weight193.35 g/mol
Exact Mass193.20
IUPAC Name1-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILES[CH2+]C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C14H25/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h11-14H,1,3-10H2,2H3/q+1
InChIKeyIASYLRRMQMNXIC-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
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
N-[4-[4-(cyclohexylamino)cyclohexyl]cyclohexyl]-4-methylcyclohexan-1-amine
CID 118983920
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
6-(4-methylcyclohexyl)-1,4-diazocane
CID 138509045
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-methyl-4-(4-methylcyclohexyl)cyclohexane (CID 90698417) is 1-methyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-methyl-4-(4-methylcyclohexyl)cyclohexane is [CH2+]C1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is IASYLRRMQMNXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h11-14H,1,3-10H2,2H3/q+1.
What are the key properties of 1-methyl-4-(4-methylcyclohexyl)cyclohexane?
1-methyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 193.35 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 90698417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).