2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane

C17H28 — CID 22898119

IUPAC2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
SMILESCC1C=CC(C2CC3CC2C(C)(C)C3(C)C)C1
InChIInChI=1S/C17H28/c1-11-6-7-12(8-11)14-9-13-10-15(14)17(4,5)16(13,2)3/h6-7,11-15H,8-10H2,1-5H3
InChIKeyLEESJZJDALGYRW-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.91
Rot. Bonds1

About 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane

2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane (PubChem CID 22898119) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
PubChem CID22898119
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
SMILESCC1C=CC(C2CC3CC2C(C)(C)C3(C)C)C1
InChIInChI=1S/C17H28/c1-11-6-7-12(8-11)14-9-13-10-15(14)17(4,5)16(13,2)3/h6-7,11-15H,8-10H2,1-5H3
InChIKeyLEESJZJDALGYRW-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747
2-ethylidene-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane
CID 72583834
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
2,2,3-trimethyl-4-oxatricyclo[4.2.1.03,7]nonane
CID 121224533
13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene
CID 22943892
1,7,7-trimethyl-2-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)bicyclo[2.2.1]heptane
CID 91605552
(4-methylcyclopent-2-en-1-yl)iodanium
CID 171633953
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
(4S)-7-methylbicyclo[2.2.1]hept-2-ene
CID 143323028
(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
CID 59956778
(2S,5R)-2,5-dimethylbicyclo[4.1.0]hept-3-ene
CID 134980109
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane
CID 160997300

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane (CID 22898119) is 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane is CC1C=CC(C2CC3CC2C(C)(C)C3(C)C)C1.
What is the InChIKey of 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
The InChIKey is LEESJZJDALGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-11-6-7-12(8-11)14-9-13-10-15(14)17(4,5)16(13,2)3/h6-7,11-15H,8-10H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane?
2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane has a molecular weight of 232.41 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-5-(4-methylcyclopent-2-en-1-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 22898119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).