4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane

C18H36 — CID 143344984

IUPAC4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane
SMILESCCC1CCC(C)C(C(C)C(C(C)C)C(C)C)C1
InChIInChI=1S/C18H36/c1-8-16-10-9-14(6)17(11-16)15(7)18(12(2)3)13(4)5/h12-18H,8-11H2,1-7H3
InChIKeyGCKMEFHWAUPWBT-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.01
Rot. Bonds5

About 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane

4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane (PubChem CID 143344984) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane.

Molecular Properties

Compound Name4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane
PubChem CID143344984
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane
SMILESCCC1CCC(C)C(C(C)C(C(C)C)C(C)C)C1
InChIInChI=1S/C18H36/c1-8-16-10-9-14(6)17(11-16)15(7)18(12(2)3)13(4)5/h12-18H,8-11H2,1-7H3
InChIKeyGCKMEFHWAUPWBT-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
3-[(1S)-1-[(2R)-5-ethyl-2-methylcyclohexyl]ethyl]-1-methylazetidine
CID 138738312
1,3-diethylcyclopentane
CID 530396
2-chloro-4-ethyl-1-methylcyclohexane
CID 89207092
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
1-ethyl-3-methylcyclopentane;methane
CID 144878558
1-(2,3-dimethylbutyl)-3-ethylcyclopentane
CID 123993465
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
1-(3-ethylcyclopentyl)ethanamine
CID 65411210
1-(1-bromoethyl)-3-ethylcyclopentane
CID 66470468
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane?
The IUPAC name of 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane (CID 143344984) is 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane.
What is the SMILES notation for 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane?
The canonical SMILES for 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane is CCC1CCC(C)C(C(C)C(C(C)C)C(C)C)C1.
What is the InChIKey of 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane?
The InChIKey is GCKMEFHWAUPWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-8-16-10-9-14(6)17(11-16)15(7)18(12(2)3)13(4)5/h12-18H,8-11H2,1-7H3.
What are the key properties of 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane?
4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-2-(4-methyl-3-propan-2-ylpentan-2-yl)cyclohexane is sourced from PubChem (CID 143344984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).