cis-(1S,2S)-1-ethyl-2-methylcyclohexane

C9H18 — CID 23620237

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

About cis-(1S,2S)-1-ethyl-2-methylcyclohexane

cis-(1S,2S)-1-ethyl-2-methylcyclohexane (PubChem CID 23620237) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(1S,2S)-1-ethyl-2-methylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2S)-1-ethyl-2-methylcyclohexane
PubChem CID23620237
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(1S,2S)-1-ethyl-2-methylcyclohexane
SMILESCC[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyXARGIVYWQPXRTC-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

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Related Compounds

ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
carbanide;cyclopentane;ethane;1-ethyl-2-methylcyclopentane;iron(2+)
CID 162283607
trans-(1R,2S)-1-ethyl-2-methylcyclobutane
CID 59954453
CID 160611346
CID 160611346
methyl-[[(2S)-2-methylcyclohexyl]methyl]-dimethylidene-λ6-sulfane
CID 144526617
azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
2-(2,6-diethylcyclohexyl)-1,3-dimethylcyclohexane
CID 123341709
1,3-diethyl-2-[(Z)-prop-1-enyl]cyclohexane;ethanol;1-ethyl-2-methylcyclohexane
CID 142160829
(2-methylcyclodecyl)methanamine
CID 163635360
cis-(1S,2S)-1-(bromomethyl)-2-methylcyclohexane
CID 124509523
(1S)-1-butyl-2-methylcyclohexane
CID 145054487

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-ethyl-2-methylcyclohexane?
The IUPAC name of cis-(1S,2S)-1-ethyl-2-methylcyclohexane (CID 23620237) is cis-(1S,2S)-1-ethyl-2-methylcyclohexane.
What is the SMILES notation for cis-(1S,2S)-1-ethyl-2-methylcyclohexane?
The canonical SMILES for cis-(1S,2S)-1-ethyl-2-methylcyclohexane is CC[C@H]1CCCC[C@@H]1C.
What is the InChIKey of cis-(1S,2S)-1-ethyl-2-methylcyclohexane?
The InChIKey is XARGIVYWQPXRTC-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of cis-(1S,2S)-1-ethyl-2-methylcyclohexane?
cis-(1S,2S)-1-ethyl-2-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 cis-(1S,2S)-1-ethyl-2-methylcyclohexane is sourced from PubChem (CID 23620237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).