2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane

C10H18 — CID 123709133

IUPAC2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
SMILESCCC1CC2CC1(C)C2C
InChIInChI=1S/C10H18/c1-4-9-5-8-6-10(9,3)7(8)2/h7-9H,4-6H2,1-3H3
InChIKeyWOGRFPWAOVDUBX-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane

2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane (PubChem CID 123709133) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
PubChem CID123709133
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane
SMILESCCC1CC2CC1(C)C2C
InChIInChI=1S/C10H18/c1-4-9-5-8-6-10(9,3)7(8)2/h7-9H,4-6H2,1-3H3
InChIKeyWOGRFPWAOVDUBX-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,6-diethyl-1-methylbicyclo[3.1.1]heptane
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2-ethyl-1,1,4-trimethylcyclobutane
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1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
CID 89117681
2-ethyl-1,1,4,5,5-pentamethylcyclohexane
CID 123866855
CID 162401464
CID 162401464
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane
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CID 123895340

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane?
The IUPAC name of 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane (CID 123709133) is 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane.
What is the SMILES notation for 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane?
The canonical SMILES for 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane is CCC1CC2CC1(C)C2C.
What is the InChIKey of 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane?
The InChIKey is WOGRFPWAOVDUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-9-5-8-6-10(9,3)7(8)2/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane?
2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,5-dimethylbicyclo[2.1.1]hexane is sourced from PubChem (CID 123709133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).