cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane

C11H22 — CID 141429339

IUPACcis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane
SMILESCC[C@@H]1[C@@H](C)CCCC1(C)C
InChIInChI=1S/C11H22/c1-5-10-9(2)7-6-8-11(10,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyWBGMHYJBJYDLTE-VHSXEESVSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds1

About cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane

cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane (PubChem CID 141429339) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane.

Molecular Properties

Compound Namecis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane
PubChem CID141429339
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namecis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane
SMILESCC[C@@H]1[C@@H](C)CCCC1(C)C
InChIInChI=1S/C11H22/c1-5-10-9(2)7-6-8-11(10,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKeyWBGMHYJBJYDLTE-VHSXEESVSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane?
The IUPAC name of cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane (CID 141429339) is cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane.
What is the SMILES notation for cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane?
The canonical SMILES for cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane is CC[C@@H]1[C@@H](C)CCCC1(C)C.
What is the InChIKey of cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane?
The InChIKey is WBGMHYJBJYDLTE-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22/c1-5-10-9(2)7-6-8-11(10,3)4/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane?
cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane is sourced from PubChem (CID 141429339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).