1-ethylbicyclo[2.2.0]hexane

C8H14 — CID 90977886

IUPAC1-ethylbicyclo[2.2.0]hexane
SMILESCCC12CCC1CC2
InChIInChI=1S/C8H14/c1-2-8-5-3-7(8)4-6-8/h7H,2-6H2,1H3
InChIKeyZCMXMMMGGHCIFN-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.59
Rot. Bonds1

About 1-ethylbicyclo[2.2.0]hexane

1-ethylbicyclo[2.2.0]hexane (PubChem CID 90977886) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-ethylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-ethylbicyclo[2.2.0]hexane
PubChem CID90977886
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-ethylbicyclo[2.2.0]hexane
SMILESCCC12CCC1CC2
InChIInChI=1S/C8H14/c1-2-8-5-3-7(8)4-6-8/h7H,2-6H2,1H3
InChIKeyZCMXMMMGGHCIFN-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
CID 123385352
1-ethyl-1-(4-propylcyclohexyl)cyclohexane
CID 57009275
2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 173085788
3-cyclopropyl-3-ethylpiperidine
CID 64919354
4-ethyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 101328467
1-(3,4-dimethylpentyl)bicyclo[2.2.0]hexane
CID 123582188
2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
CID 123379170
1-cyclopropyl-1-pentylcyclopropane
CID 173187185
6-ethylbicyclo[4.2.0]octan-2-one
CID 130036678
1-pentan-3-ylbicyclo[2.2.0]hexane
CID 123433061
4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
1-(cyclobutylmethyl)bicyclo[3.2.0]heptane
CID 163703083

Frequently Asked Questions

What is the IUPAC name of 1-ethylbicyclo[2.2.0]hexane?
The IUPAC name of 1-ethylbicyclo[2.2.0]hexane (CID 90977886) is 1-ethylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1-ethylbicyclo[2.2.0]hexane?
The canonical SMILES for 1-ethylbicyclo[2.2.0]hexane is CCC12CCC1CC2.
What is the InChIKey of 1-ethylbicyclo[2.2.0]hexane?
The InChIKey is ZCMXMMMGGHCIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-2-8-5-3-7(8)4-6-8/h7H,2-6H2,1H3.
What are the key properties of 1-ethylbicyclo[2.2.0]hexane?
1-ethylbicyclo[2.2.0]hexane has a molecular weight of 110.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbicyclo[2.2.0]hexane is sourced from PubChem (CID 90977886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).