trans-(1R,2R)-1,2-diethylcyclobutane

C8H16 — CID 59110889

IUPACtrans-(1R,2R)-1,2-diethylcyclobutane
SMILESCC[C@@H]1CC[C@H]1CC
InChIInChI=1S/C8H16/c1-3-7-5-6-8(7)4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeySXWCZDYKTCYCIC-HTQZYQBOSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds2

About trans-(1R,2R)-1,2-diethylcyclobutane

trans-(1R,2R)-1,2-diethylcyclobutane (PubChem CID 59110889) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-diethylcyclobutane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-diethylcyclobutane
PubChem CID59110889
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nametrans-(1R,2R)-1,2-diethylcyclobutane
SMILESCC[C@@H]1CC[C@H]1CC
InChIInChI=1S/C8H16/c1-3-7-5-6-8(7)4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeySXWCZDYKTCYCIC-HTQZYQBOSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-Dimethylheptane
CID 13534
4-Methyloctane
CID 16665
4,5-Dimethylnonane
CID 86541
4-Ethyloctane
CID 85925
1,2-Diethylcyclobutane
CID 43552
Heptane, 4-(1-methylethyl)-
CID 142981
Octane, 2,3,7-trimethyl-
CID 43867
3,4-Dimethyloctane
CID 85926
5-Methylnonane
CID 27518
3,4,5-Trimethylheptane
CID 89304
2,6,7-Trimethyldecane
CID 43924
octane, 2,3-dimethyl-(8ci)
CID 23531

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-diethylcyclobutane?
The IUPAC name of trans-(1R,2R)-1,2-diethylcyclobutane (CID 59110889) is trans-(1R,2R)-1,2-diethylcyclobutane.
What is the SMILES notation for trans-(1R,2R)-1,2-diethylcyclobutane?
The canonical SMILES for trans-(1R,2R)-1,2-diethylcyclobutane is CC[C@@H]1CC[C@H]1CC.
What is the InChIKey of trans-(1R,2R)-1,2-diethylcyclobutane?
The InChIKey is SXWCZDYKTCYCIC-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16/c1-3-7-5-6-8(7)4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-diethylcyclobutane?
trans-(1R,2R)-1,2-diethylcyclobutane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-diethylcyclobutane is sourced from PubChem (CID 59110889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).