(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane

C10H20 — CID 145320876

IUPAC(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
SMILESCC[C@H]1C[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C10H20/c1-4-10-7-8(2)5-6-9(10)3/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyYSLKXMCOTLLYSD-GUBZILKMSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds1

About (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane

(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane (PubChem CID 145320876) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
PubChem CID145320876
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
SMILESCC[C@H]1C[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C10H20/c1-4-10-7-8(2)5-6-9(10)3/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m0/s1
InChIKeyYSLKXMCOTLLYSD-GUBZILKMSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane?
The IUPAC name of (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane (CID 145320876) is (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane.
What is the SMILES notation for (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane?
The canonical SMILES for (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane is CC[C@H]1C[C@@H](C)CC[C@@H]1C.
What is the InChIKey of (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane?
The InChIKey is YSLKXMCOTLLYSD-GUBZILKMSA-N. The full InChI is InChI=1S/C10H20/c1-4-10-7-8(2)5-6-9(10)3/h8-10H,4-7H2,1-3H3/t8-,9-,10-/m0/s1.
What are the key properties of (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane?
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane is sourced from PubChem (CID 145320876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).