1-ethyl-2-methyl-4-propan-2-ylcyclohexane

C12H24 — CID 90923816

IUPAC1-ethyl-2-methyl-4-propan-2-ylcyclohexane
SMILESCCC1CCC(C(C)C)CC1C
InChIInChI=1S/C12H24/c1-5-11-6-7-12(9(2)3)8-10(11)4/h9-12H,5-8H2,1-4H3
InChIKeyYIHUDPYMOSEUNC-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About 1-ethyl-2-methyl-4-propan-2-ylcyclohexane

1-ethyl-2-methyl-4-propan-2-ylcyclohexane (PubChem CID 90923816) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-propan-2-ylcyclohexane
PubChem CID90923816
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-ethyl-2-methyl-4-propan-2-ylcyclohexane
SMILESCCC1CCC(C(C)C)CC1C
InChIInChI=1S/C12H24/c1-5-11-6-7-12(9(2)3)8-10(11)4/h9-12H,5-8H2,1-4H3
InChIKeyYIHUDPYMOSEUNC-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
CID 123952928
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
3-ethyl-2-methyl-N-(3-propan-2-ylcyclobutyl)cyclopentan-1-amine
CID 103561998
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-ethyl-2-methyl-4-propan-2-ylcyclohexane (CID 90923816) is 1-ethyl-2-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-ethyl-2-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-ethyl-2-methyl-4-propan-2-ylcyclohexane is CCC1CCC(C(C)C)CC1C.
What is the InChIKey of 1-ethyl-2-methyl-4-propan-2-ylcyclohexane?
The InChIKey is YIHUDPYMOSEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-11-6-7-12(9(2)3)8-10(11)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-4-propan-2-ylcyclohexane?
1-ethyl-2-methyl-4-propan-2-ylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 90923816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).