2-propan-2-yltricyclo[4.3.0.01,3]nonane

C12H20 — CID 143378138

IUPAC2-propan-2-yltricyclo[4.3.0.01,3]nonane
SMILESCC(C)C1C2CCC3CCCC321
InChIInChI=1S/C12H20/c1-8(2)11-10-6-5-9-4-3-7-12(9,10)11/h8-11H,3-7H2,1-2H3
InChIKeyABEXQJJQYBVOMZ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds1

About 2-propan-2-yltricyclo[4.3.0.01,3]nonane

2-propan-2-yltricyclo[4.3.0.01,3]nonane (PubChem CID 143378138) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-propan-2-yltricyclo[4.3.0.01,3]nonane.

Molecular Properties

Compound Name2-propan-2-yltricyclo[4.3.0.01,3]nonane
PubChem CID143378138
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-propan-2-yltricyclo[4.3.0.01,3]nonane
SMILESCC(C)C1C2CCC3CCCC321
InChIInChI=1S/C12H20/c1-8(2)11-10-6-5-9-4-3-7-12(9,10)11/h8-11H,3-7H2,1-2H3
InChIKeyABEXQJJQYBVOMZ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yltricyclo[4.3.0.01,3]nonane?
The IUPAC name of 2-propan-2-yltricyclo[4.3.0.01,3]nonane (CID 143378138) is 2-propan-2-yltricyclo[4.3.0.01,3]nonane.
What is the SMILES notation for 2-propan-2-yltricyclo[4.3.0.01,3]nonane?
The canonical SMILES for 2-propan-2-yltricyclo[4.3.0.01,3]nonane is CC(C)C1C2CCC3CCCC321.
What is the InChIKey of 2-propan-2-yltricyclo[4.3.0.01,3]nonane?
The InChIKey is ABEXQJJQYBVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8(2)11-10-6-5-9-4-3-7-12(9,10)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yltricyclo[4.3.0.01,3]nonane?
2-propan-2-yltricyclo[4.3.0.01,3]nonane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yltricyclo[4.3.0.01,3]nonane is sourced from PubChem (CID 143378138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).