trans-(1S,3S)-1-ethyl-3-methylcyclohexane

C9H18 — CID 23620235

IUPACtrans-(1S,3S)-1-ethyl-3-methylcyclohexane
SMILESCC[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C9H18/c1-3-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyUDDVMPHNQKRNNS-IUCAKERBSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds1

About trans-(1S,3S)-1-ethyl-3-methylcyclohexane

trans-(1S,3S)-1-ethyl-3-methylcyclohexane (PubChem CID 23620235) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is trans-(1S,3S)-1-ethyl-3-methylcyclohexane.

Molecular Properties

Compound Nametrans-(1S,3S)-1-ethyl-3-methylcyclohexane
PubChem CID23620235
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametrans-(1S,3S)-1-ethyl-3-methylcyclohexane
SMILESCC[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C9H18/c1-3-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyUDDVMPHNQKRNNS-IUCAKERBSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze trans-(1S,3S)-1-ethyl-3-methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
1-ethyl-3-methylcyclopentane;methane
CID 144878558
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
(3-methylcyclohexyl)methanamine
CID 18361468
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-ethyl-3-methylcyclohexane?
The IUPAC name of trans-(1S,3S)-1-ethyl-3-methylcyclohexane (CID 23620235) is trans-(1S,3S)-1-ethyl-3-methylcyclohexane.
What is the SMILES notation for trans-(1S,3S)-1-ethyl-3-methylcyclohexane?
The canonical SMILES for trans-(1S,3S)-1-ethyl-3-methylcyclohexane is CC[C@H]1CCC[C@H](C)C1.
What is the InChIKey of trans-(1S,3S)-1-ethyl-3-methylcyclohexane?
The InChIKey is UDDVMPHNQKRNNS-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18/c1-3-9-6-4-5-8(2)7-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-1-ethyl-3-methylcyclohexane?
trans-(1S,3S)-1-ethyl-3-methylcyclohexane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-ethyl-3-methylcyclohexane is sourced from PubChem (CID 23620235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).