trans-(1R,2S)-1-ethyl-2-methylcyclobutane

C7H14 — CID 59954453

IUPACtrans-(1R,2S)-1-ethyl-2-methylcyclobutane
SMILESCC[C@@H]1CC[C@@H]1C
InChIInChI=1S/C7H14/c1-3-7-5-4-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyGTNFKYXODAGZPL-NKWVEPMBSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds1

About trans-(1R,2S)-1-ethyl-2-methylcyclobutane

trans-(1R,2S)-1-ethyl-2-methylcyclobutane (PubChem CID 59954453) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is trans-(1R,2S)-1-ethyl-2-methylcyclobutane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-ethyl-2-methylcyclobutane
PubChem CID59954453
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Nametrans-(1R,2S)-1-ethyl-2-methylcyclobutane
SMILESCC[C@@H]1CC[C@@H]1C
InChIInChI=1S/C7H14/c1-3-7-5-4-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyGTNFKYXODAGZPL-NKWVEPMBSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;ethane;1-ethyl-2-methylcyclobutane
CID 142223483
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
CID 123952928
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
butane;1-ethyl-2,3-dimethylcyclopentane
CID 144921835
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876
1,3-diethyl-2-methylcyclopentane
CID 123589151
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
ethane;2-ethyl-5-methylcyclopentan-1-amine
CID 176686280

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-ethyl-2-methylcyclobutane?
The IUPAC name of trans-(1R,2S)-1-ethyl-2-methylcyclobutane (CID 59954453) is trans-(1R,2S)-1-ethyl-2-methylcyclobutane.
What is the SMILES notation for trans-(1R,2S)-1-ethyl-2-methylcyclobutane?
The canonical SMILES for trans-(1R,2S)-1-ethyl-2-methylcyclobutane is CC[C@@H]1CC[C@@H]1C.
What is the InChIKey of trans-(1R,2S)-1-ethyl-2-methylcyclobutane?
The InChIKey is GTNFKYXODAGZPL-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14/c1-3-7-5-4-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of trans-(1R,2S)-1-ethyl-2-methylcyclobutane?
trans-(1R,2S)-1-ethyl-2-methylcyclobutane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-ethyl-2-methylcyclobutane is sourced from PubChem (CID 59954453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).