1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane

C9H14 — CID 123154138

IUPAC1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane
SMILESCCC12CC1C1CC12C
InChIInChI=1S/C9H14/c1-3-9-5-7(9)6-4-8(6,9)2/h6-7H,3-5H2,1-2H3
InChIKeyMLZNGVLMDDKNHI-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds1

About 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane

1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane (PubChem CID 123154138) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane
PubChem CID123154138
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane
SMILESCCC12CC1C1CC12C
InChIInChI=1S/C9H14/c1-3-9-5-7(9)6-4-8(6,9)2/h6-7H,3-5H2,1-2H3
InChIKeyMLZNGVLMDDKNHI-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 163889963
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CID 123830649
1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane
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(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
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5a-ethyl-3,6,6,8a-tetramethyl-7-propyl-1,2,3a,4,5,7,8,8b-octahydroacenaphthylen-3-ol
CID 70821636
cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
CID 143682389
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
1-ethyl-4-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123763181
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane
CID 163646390

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane (CID 123154138) is 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane is CCC12CC1C1CC12C.
What is the InChIKey of 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane?
The InChIKey is MLZNGVLMDDKNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-5-7(9)6-4-8(6,9)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane?
1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane has a molecular weight of 122.21 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 1-ethyl-2-methyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 123154138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).