1-ethyl-4-methylcyclohexane;pentane

C14H30 — CID 159787850

IUPAC1-ethyl-4-methylcyclohexane;pentane
SMILESCCC1CCC(C)CC1.CCCCC
InChIInChI=1S/C9H18.C5H12/c1-3-9-6-4-8(2)5-7-9;1-3-5-4-2/h8-9H,3-7H2,1-2H3;3-5H2,1-2H3
InChIKeyNIEKEYTUAOQZNK-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds3

About 1-ethyl-4-methylcyclohexane;pentane

1-ethyl-4-methylcyclohexane;pentane (PubChem CID 159787850) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 1-ethyl-4-methylcyclohexane;pentane.

Molecular Properties

Compound Name1-ethyl-4-methylcyclohexane;pentane
PubChem CID159787850
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name1-ethyl-4-methylcyclohexane;pentane
SMILESCCC1CCC(C)CC1.CCCCC
InChIInChI=1S/C9H18.C5H12/c1-3-9-6-4-8(2)5-7-9;1-3-5-4-2/h8-9H,3-7H2,1-2H3;3-5H2,1-2H3
InChIKeyNIEKEYTUAOQZNK-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
1-ethyl-4-methylcyclooctane;methane
CID 159989571
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
1-butyl-4-ethylcyclohexane;methane
CID 145295190
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylcyclohexane;pentane?
The IUPAC name of 1-ethyl-4-methylcyclohexane;pentane (CID 159787850) is 1-ethyl-4-methylcyclohexane;pentane.
What is the SMILES notation for 1-ethyl-4-methylcyclohexane;pentane?
The canonical SMILES for 1-ethyl-4-methylcyclohexane;pentane is CCC1CCC(C)CC1.CCCCC.
What is the InChIKey of 1-ethyl-4-methylcyclohexane;pentane?
The InChIKey is NIEKEYTUAOQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H12/c1-3-9-6-4-8(2)5-7-9;1-3-5-4-2/h8-9H,3-7H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 1-ethyl-4-methylcyclohexane;pentane?
1-ethyl-4-methylcyclohexane;pentane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylcyclohexane;pentane is sourced from PubChem (CID 159787850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).