2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane

C11H18 — CID 123900987

IUPAC2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane
SMILESCC(C)C1(C)C2(C)C3CCC312
InChIInChI=1S/C11H18/c1-7(2)9(3)10(4)8-5-6-11(8,9)10/h7-8H,5-6H2,1-4H3
InChIKeyJZWUAJIDCIMDEA-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds1

About 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane

2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane (PubChem CID 123900987) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane.

Molecular Properties

Compound Name2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane
PubChem CID123900987
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane
SMILESCC(C)C1(C)C2(C)C3CCC312
InChIInChI=1S/C11H18/c1-7(2)9(3)10(4)8-5-6-11(8,9)10/h7-8H,5-6H2,1-4H3
InChIKeyJZWUAJIDCIMDEA-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane?
The IUPAC name of 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane (CID 123900987) is 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane.
What is the SMILES notation for 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane?
The canonical SMILES for 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane is CC(C)C1(C)C2(C)C3CCC312.
What is the InChIKey of 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane?
The InChIKey is JZWUAJIDCIMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-7(2)9(3)10(4)8-5-6-11(8,9)10/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane?
2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane has a molecular weight of 150.26 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 2,3-dimethyl-2-propan-2-yltricyclo[2.2.0.01,3]hexane is sourced from PubChem (CID 123900987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).