1-ethyl-4-(2-methylbutan-2-yl)cyclohexane

C13H26 — CID 19097578

IUPAC1-ethyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C13H26/c1-5-11-7-9-12(10-8-11)13(3,4)6-2/h11-12H,5-10H2,1-4H3
InChIKeyAGBKWFXIXFKSTB-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds3

About 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane

1-ethyl-4-(2-methylbutan-2-yl)cyclohexane (PubChem CID 19097578) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(2-methylbutan-2-yl)cyclohexane
PubChem CID19097578
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C13H26/c1-5-11-7-9-12(10-8-11)13(3,4)6-2/h11-12H,5-10H2,1-4H3
InChIKeyAGBKWFXIXFKSTB-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Pentylcyclohexane
CID 20284
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
1,1-Dimethylcyclohexane
CID 11549
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712
Heptylcyclohexane
CID 21832
Diethylcyclohexane
CID 14910

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane?
The IUPAC name of 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane (CID 19097578) is 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane is CCC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane?
The InChIKey is AGBKWFXIXFKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-11-7-9-12(10-8-11)13(3,4)6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane?
1-ethyl-4-(2-methylbutan-2-yl)cyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 19097578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).