1-ethyl-3-methyl-2-propan-2-ylcyclohexane

C12H24 — CID 20695087

IUPAC1-ethyl-3-methyl-2-propan-2-ylcyclohexane
SMILESCCC1CCCC(C)C1C(C)C
InChIInChI=1S/C12H24/c1-5-11-8-6-7-10(4)12(11)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyFRDKETZFXQRCOI-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About 1-ethyl-3-methyl-2-propan-2-ylcyclohexane

1-ethyl-3-methyl-2-propan-2-ylcyclohexane (PubChem CID 20695087) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-propan-2-ylcyclohexane
PubChem CID20695087
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-ethyl-3-methyl-2-propan-2-ylcyclohexane
SMILESCCC1CCCC(C)C1C(C)C
InChIInChI=1S/C12H24/c1-5-11-8-6-7-10(4)12(11)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyFRDKETZFXQRCOI-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

cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
CID 123341709
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane
CID 90849412
1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane
CID 91227488
2-[(1S,2R,3R)-3-methyl-2-propan-2-ylcyclohexyl]oxyethanamine
CID 125486818
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
3-(3-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 66733631
2-(1-bromoethyl)-1,3-dimethylcyclohexane
CID 66469655
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 123742163

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-propan-2-ylcyclohexane?
The IUPAC name of 1-ethyl-3-methyl-2-propan-2-ylcyclohexane (CID 20695087) is 1-ethyl-3-methyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1-ethyl-3-methyl-2-propan-2-ylcyclohexane?
The canonical SMILES for 1-ethyl-3-methyl-2-propan-2-ylcyclohexane is CCC1CCCC(C)C1C(C)C.
What is the InChIKey of 1-ethyl-3-methyl-2-propan-2-ylcyclohexane?
The InChIKey is FRDKETZFXQRCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-11-8-6-7-10(4)12(11)9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-2-propan-2-ylcyclohexane?
1-ethyl-3-methyl-2-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-3-methyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 20695087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).