4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane

C14H28 — CID 143714576

IUPAC4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
SMILESCCC1CCC(CCC(C)C)C(C)C1
InChIInChI=1S/C14H28/c1-5-13-7-9-14(12(4)10-13)8-6-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyASSRTXOMRXJEIW-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds4

About 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane

4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane (PubChem CID 143714576) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
PubChem CID143714576
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
SMILESCCC1CCC(CCC(C)C)C(C)C1
InChIInChI=1S/C14H28/c1-5-13-7-9-14(12(4)10-13)8-6-11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyASSRTXOMRXJEIW-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol
CID 145005052
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853
ethane;2-methyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 153331716
N-[[2-(3-methylbutyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029901
6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552782
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
1-ethyl-3-(5-methylhexan-2-yl)cyclopentane
CID 123613674
1,3-diethylcyclopentane
CID 530396
1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane
CID 177219670
(2R)-2-chloro-1,4-diethylcyclohexane
CID 58445540
2-chloro-4-ethyl-1-methylcyclohexane
CID 89207092

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane?
The IUPAC name of 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane (CID 143714576) is 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane.
What is the SMILES notation for 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane?
The canonical SMILES for 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane is CCC1CCC(CCC(C)C)C(C)C1.
What is the InChIKey of 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane?
The InChIKey is ASSRTXOMRXJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-13-7-9-14(12(4)10-13)8-6-11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane?
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane is sourced from PubChem (CID 143714576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).