2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane

C12H20 — CID 91001186

IUPAC2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane
SMILESCC(C)C1C23CC12C(C)(C)C3C
InChIInChI=1S/C12H20/c1-7(2)9-11-6-12(9,11)10(4,5)8(11)3/h7-9H,6H2,1-5H3
InChIKeyYAHDATLTMOCLIN-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.32
Rot. Bonds1

About 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane

2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane (PubChem CID 91001186) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane.

Molecular Properties

Compound Name2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane
PubChem CID91001186
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane
SMILESCC(C)C1C23CC12C(C)(C)C3C
InChIInChI=1S/C12H20/c1-7(2)9-11-6-12(9,11)10(4,5)8(11)3/h7-9H,6H2,1-5H3
InChIKeyYAHDATLTMOCLIN-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tricyclo[3.1.0.0(2,4)]hexane, 3,3,6,6-tetramethyl-, (1alpha,2beta,4beta,5alpha)-
CID 578271
Tricyclo[3.1.0.0(2,4)]hexane, 3,3,6,6-tetracyclopropyl-
CID 561667
Tricyclo[3.1.0.0(2,4)]hexane, 3,3,6,6-tetraethyl-,trans--
CID 572173
3,6-Dicyclopropyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane
CID 14397431
1-Methyltetracyclo[3.2.0.02,7.04,6]heptane
CID 13030510
1,2-Dimethyltricyclo[3.1.0.02,4]hexane
CID 91393488
3-Fluoro-4-methyl-2-(3-methylbutan-2-yl)tricyclo[2.1.0.01,3]pentane
CID 154979729
1-Tert-butyltetracyclo[3.2.0.02,7.04,6]heptane
CID 13030519
(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane
CID 11829780
Dispiro[cyclobutane-1,3-tricyclo[3.1.0.02,4]hexane-6,1-cyclobutane] (9CI)
CID 14528607
7,7-Dimethyltetracyclo[3.2.0.01,6.02,6]heptane
CID 85727943
3-Tert-butyltetracyclo[3.2.0.02,7.04,6]heptane
CID 86113974

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane?
The IUPAC name of 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane (CID 91001186) is 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane.
What is the SMILES notation for 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane?
The canonical SMILES for 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane is CC(C)C1C23CC12C(C)(C)C3C.
What is the InChIKey of 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane?
The InChIKey is YAHDATLTMOCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-7(2)9-11-6-12(9,11)10(4,5)8(11)3/h7-9H,6H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane?
2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane has a molecular weight of 164.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-5-propan-2-yltricyclo[2.1.1.01,4]hexane is sourced from PubChem (CID 91001186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).