2,2,3,5-tetramethylbicyclo[2.1.1]hexane

C10H18 — CID 123374497

IUPAC2,2,3,5-tetramethylbicyclo[2.1.1]hexane
SMILESCC1C2CC1C(C)(C)C2C
InChIInChI=1S/C10H18/c1-6-8-5-9(6)10(3,4)7(8)2/h6-9H,5H2,1-4H3
InChIKeyRNRXIXKTSJMYQV-UHFFFAOYSA-N
MW138.25 g/mol
LogP2.93
Rot. Bonds

About 2,2,3,5-tetramethylbicyclo[2.1.1]hexane

2,2,3,5-tetramethylbicyclo[2.1.1]hexane (PubChem CID 123374497) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,2,3,5-tetramethylbicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2,2,3,5-tetramethylbicyclo[2.1.1]hexane
PubChem CID123374497
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,2,3,5-tetramethylbicyclo[2.1.1]hexane
SMILESCC1C2CC1C(C)(C)C2C
InChIInChI=1S/C10H18/c1-6-8-5-9(6)10(3,4)7(8)2/h6-9H,5H2,1-4H3
InChIKeyRNRXIXKTSJMYQV-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane
CID 90058200
1,7,7-trimethyl-2-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)bicyclo[2.2.1]heptane
CID 91605552
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
(1R,2R,4S,5S,6S)-5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
CID 90470844
(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
CID 158391246
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
(3,6,7,7-tetramethyl-2-bicyclo[3.2.0]heptanyl)methanamine
CID 123796578
1,2,3,6-tetramethylbicyclo[2.2.0]hexane
CID 123570801
(1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
CID 91355688
dimethyl-[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
CID 162405466
(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
CID 99644516

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetramethylbicyclo[2.1.1]hexane?
The IUPAC name of 2,2,3,5-tetramethylbicyclo[2.1.1]hexane (CID 123374497) is 2,2,3,5-tetramethylbicyclo[2.1.1]hexane.
What is the SMILES notation for 2,2,3,5-tetramethylbicyclo[2.1.1]hexane?
The canonical SMILES for 2,2,3,5-tetramethylbicyclo[2.1.1]hexane is CC1C2CC1C(C)(C)C2C.
What is the InChIKey of 2,2,3,5-tetramethylbicyclo[2.1.1]hexane?
The InChIKey is RNRXIXKTSJMYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-6-8-5-9(6)10(3,4)7(8)2/h6-9H,5H2,1-4H3.
What are the key properties of 2,2,3,5-tetramethylbicyclo[2.1.1]hexane?
2,2,3,5-tetramethylbicyclo[2.1.1]hexane has a molecular weight of 138.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetramethylbicyclo[2.1.1]hexane is sourced from PubChem (CID 123374497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).