(2S)-2-ethylbicyclo[2.2.0]hexane

C8H14 — CID 143524617

IUPAC(2S)-2-ethylbicyclo[2.2.0]hexane
SMILESCC[C@H]1CC2CCC21
InChIInChI=1S/C8H14/c1-2-6-5-7-3-4-8(6)7/h6-8H,2-5H2,1H3/t6-,7?,8?/m0/s1
InChIKeyQMSPUOPJFHBWIT-KKMMWDRVSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds1

About (2S)-2-ethylbicyclo[2.2.0]hexane

(2S)-2-ethylbicyclo[2.2.0]hexane (PubChem CID 143524617) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (2S)-2-ethylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name(2S)-2-ethylbicyclo[2.2.0]hexane
PubChem CID143524617
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(2S)-2-ethylbicyclo[2.2.0]hexane
SMILESCC[C@H]1CC2CCC21
InChIInChI=1S/C8H14/c1-2-6-5-7-3-4-8(6)7/h6-8H,2-5H2,1H3/t6-,7?,8?/m0/s1
InChIKeyQMSPUOPJFHBWIT-KKMMWDRVSA-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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CID 146718976
2-[3-ethyl-4-[3-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147238
1-ethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143342565
2-[3-ethyl-4-[3-ethyl-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]ethanol
CID 118147264
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
1-ethyl-2-(2-ethylcyclopropyl)cyclobutane
CID 123502965
N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen
CID 163239204
4-(4-amino-3-ethylcyclohexyl)-2-ethylcyclohexan-1-amine
CID 67929401
1-cyclobutyl-2-ethylcyclobutane
CID 123211451
6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 163413295
4-[4-[2-ethyl-4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]butan-1-ol
CID 140677441
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylbicyclo[2.2.0]hexane?
The IUPAC name of (2S)-2-ethylbicyclo[2.2.0]hexane (CID 143524617) is (2S)-2-ethylbicyclo[2.2.0]hexane.
What is the SMILES notation for (2S)-2-ethylbicyclo[2.2.0]hexane?
The canonical SMILES for (2S)-2-ethylbicyclo[2.2.0]hexane is CC[C@H]1CC2CCC21.
What is the InChIKey of (2S)-2-ethylbicyclo[2.2.0]hexane?
The InChIKey is QMSPUOPJFHBWIT-KKMMWDRVSA-N. The full InChI is InChI=1S/C8H14/c1-2-6-5-7-3-4-8(6)7/h6-8H,2-5H2,1H3/t6-,7?,8?/m0/s1.
What are the key properties of (2S)-2-ethylbicyclo[2.2.0]hexane?
(2S)-2-ethylbicyclo[2.2.0]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 (2S)-2-ethylbicyclo[2.2.0]hexane is sourced from PubChem (CID 143524617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).