trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane

C10H20 — CID 124506499

IUPACtrans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
SMILESCCC1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C10H20/c1-4-10-8(2)6-5-7-9(10)3/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyQZUJWESVOYGMQY-RKDXNWHRSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds1

About trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane

trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane (PubChem CID 124506499) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
PubChem CID124506499
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nametrans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
SMILESCCC1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C10H20/c1-4-10-8(2)6-5-7-9(10)3/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyQZUJWESVOYGMQY-RKDXNWHRSA-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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Related Compounds

2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029
ethane;(2-ethyl-3-methylcyclohexyl)methanamine
CID 176567234
2-ethyl-3-methylcycloheptan-1-amine
CID 139376160
1,3-dimethyl-2-propylcycloheptane
CID 123611013
3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 166712350
2-ethyl-1-hexan-2-yl-3-methylcyclohexane
CID 123270961
cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
4-ethyl-3,5-dimethyloxane
CID 91432465
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane?
The IUPAC name of trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane (CID 124506499) is trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane.
What is the SMILES notation for trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane?
The canonical SMILES for trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane is CCC1[C@H](C)CCC[C@H]1C.
What is the InChIKey of trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane?
The InChIKey is QZUJWESVOYGMQY-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20/c1-4-10-8(2)6-5-7-9(10)3/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane?
trans-(1R,3R)-2-ethyl-1,3-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 trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane is sourced from PubChem (CID 124506499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).