methane;1-methyl-4-propan-2-ylcyclohexane

C14H36 — CID 178082994

IUPACmethane;1-methyl-4-propan-2-ylcyclohexane
SMILESC.C.C.C.CC1CCC(C(C)C)CC1
InChIInChI=1S/C10H20.4CH4/c1-8(2)10-6-4-9(3)5-7-10;;;;/h8-10H,4-7H2,1-3H3;4*1H4
InChIKeyQFXPMMMRBMQXPO-UHFFFAOYSA-N
MW204.44 g/mol
LogP6.01
Rot. Bonds1

About methane;1-methyl-4-propan-2-ylcyclohexane

methane;1-methyl-4-propan-2-ylcyclohexane (PubChem CID 178082994) has the molecular formula C14H36 and a molecular weight of 204.44 g/mol. Its IUPAC name is methane;1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Namemethane;1-methyl-4-propan-2-ylcyclohexane
PubChem CID178082994
Molecular FormulaC14H36
Molecular Weight204.44 g/mol
Exact Mass204.28
IUPAC Namemethane;1-methyl-4-propan-2-ylcyclohexane
SMILESC.C.C.C.CC1CCC(C(C)C)CC1
InChIInChI=1S/C10H20.4CH4/c1-8(2)10-6-4-9(3)5-7-10;;;;/h8-10H,4-7H2,1-3H3;4*1H4
InChIKeyQFXPMMMRBMQXPO-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
isocyanic acid;1-methyl-4-propan-2-ylcyclohexane
CID 88721765
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
propan-2-ylcyclopropane;hydroiodide
CID 162314014
bis(1,4-dimethylcyclohexane);methane
CID 161326462
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
CID 167705554
formohydrazide;1-methyl-4-propan-2-ylcyclohexane
CID 175318505
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of methane;1-methyl-4-propan-2-ylcyclohexane (CID 178082994) is methane;1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for methane;1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for methane;1-methyl-4-propan-2-ylcyclohexane is C.C.C.C.CC1CCC(C(C)C)CC1.
What is the InChIKey of methane;1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is QFXPMMMRBMQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.4CH4/c1-8(2)10-6-4-9(3)5-7-10;;;;/h8-10H,4-7H2,1-3H3;4*1H4.
What are the key properties of methane;1-methyl-4-propan-2-ylcyclohexane?
methane;1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 204.44 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 178082994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).