(3S)-1-ethyl-1,3-dimethylcyclohexane

C10H20 — CID 145106781

IUPAC(3S)-1-ethyl-1,3-dimethylcyclohexane
SMILESCCC1(C)CCC[C@H](C)C1
InChIInChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyYLZKVXHQMPWDBJ-RGURZIINSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds1

About (3S)-1-ethyl-1,3-dimethylcyclohexane

(3S)-1-ethyl-1,3-dimethylcyclohexane (PubChem CID 145106781) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (3S)-1-ethyl-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name(3S)-1-ethyl-1,3-dimethylcyclohexane
PubChem CID145106781
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(3S)-1-ethyl-1,3-dimethylcyclohexane
SMILESCCC1(C)CCC[C@H](C)C1
InChIInChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3/t9-,10?/m0/s1
InChIKeyYLZKVXHQMPWDBJ-RGURZIINSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-1,4-dimethylcycloheptane
CID 91266372
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
1,1-diethyl-3-methylcyclohexane
CID 19090157
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane
CID 159398385
(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
1-butyl-1,3-dimethylcyclopentane
CID 123273889

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-1,3-dimethylcyclohexane?
The IUPAC name of (3S)-1-ethyl-1,3-dimethylcyclohexane (CID 145106781) is (3S)-1-ethyl-1,3-dimethylcyclohexane.
What is the SMILES notation for (3S)-1-ethyl-1,3-dimethylcyclohexane?
The canonical SMILES for (3S)-1-ethyl-1,3-dimethylcyclohexane is CCC1(C)CCC[C@H](C)C1.
What is the InChIKey of (3S)-1-ethyl-1,3-dimethylcyclohexane?
The InChIKey is YLZKVXHQMPWDBJ-RGURZIINSA-N. The full InChI is InChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (3S)-1-ethyl-1,3-dimethylcyclohexane?
(3S)-1-ethyl-1,3-dimethylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-1,3-dimethylcyclohexane is sourced from PubChem (CID 145106781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).