1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane

C18H34 — CID 123821196

IUPAC1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
SMILESCC1CCC(C(C)C(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H34/c1-13-5-9-17(10-6-13)15(3)16(4)18-11-7-14(2)8-12-18/h13-18H,5-12H2,1-4H3
InChIKeyATQGMECMYLLVEO-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds3

About 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane

1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane (PubChem CID 123821196) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
PubChem CID123821196
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
SMILESCC1CCC(C(C)C(C)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H34/c1-13-5-9-17(10-6-13)15(3)16(4)18-11-7-14(2)8-12-18/h13-18H,5-12H2,1-4H3
InChIKeyATQGMECMYLLVEO-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
2-cyclopropyl-1-(4-methylcyclohexyl)propan-1-amine
CID 104988128
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216
1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane
CID 123564537
1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
CID 123280607
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 163912333
N,N-dimethyl-1-(4-methylcyclohexyl)ethanamine
CID 138474859
1-butan-2-yl-4-methylcyclohexane
CID 20676481
(1R)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 94033456
N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine
CID 81015091

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane?
The IUPAC name of 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane (CID 123821196) is 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane?
The canonical SMILES for 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane is CC1CCC(C(C)C(C)C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane?
The InChIKey is ATQGMECMYLLVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-13-5-9-17(10-6-13)15(3)16(4)18-11-7-14(2)8-12-18/h13-18H,5-12H2,1-4H3.
What are the key properties of 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane?
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane is sourced from PubChem (CID 123821196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).