(1S,5R)-3-ethylbicyclo[3.1.0]hexane

C8H14 — CID 154521866

IUPAC(1S,5R)-3-ethylbicyclo[3.1.0]hexane
SMILESCCC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C8H14/c1-2-6-3-7-5-8(7)4-6/h6-8H,2-5H2,1H3/t6?,7-,8+
InChIKeyWWDABSPKHWIPAN-IEESLHIDSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds1

About (1S,5R)-3-ethylbicyclo[3.1.0]hexane

(1S,5R)-3-ethylbicyclo[3.1.0]hexane (PubChem CID 154521866) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (1S,5R)-3-ethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-ethylbicyclo[3.1.0]hexane
PubChem CID154521866
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(1S,5R)-3-ethylbicyclo[3.1.0]hexane
SMILESCCC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C8H14/c1-2-6-3-7-5-8(7)4-6/h6-8H,2-5H2,1H3/t6?,7-,8+
InChIKeyWWDABSPKHWIPAN-IEESLHIDSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-ethylbicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-ethylbicyclo[3.1.0]hexane (CID 154521866) is (1S,5R)-3-ethylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-ethylbicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-ethylbicyclo[3.1.0]hexane is CCC1C[C@@H]2C[C@@H]2C1.
What is the InChIKey of (1S,5R)-3-ethylbicyclo[3.1.0]hexane?
The InChIKey is WWDABSPKHWIPAN-IEESLHIDSA-N. The full InChI is InChI=1S/C8H14/c1-2-6-3-7-5-8(7)4-6/h6-8H,2-5H2,1H3/t6?,7-,8+.
What are the key properties of (1S,5R)-3-ethylbicyclo[3.1.0]hexane?
(1S,5R)-3-ethylbicyclo[3.1.0]hexane has a molecular weight of 110.20 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 (1S,5R)-3-ethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 154521866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).