5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane

C15H28 — CID 176752181

IUPAC5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane
SMILESCC(C)(C)C(C1CC2(CC2)C1)C(C)(C)C
InChIInChI=1S/C15H28/c1-13(2,3)12(14(4,5)6)11-9-15(10-11)7-8-15/h11-12H,7-10H2,1-6H3
InChIKeyCHHBSQAZSIOZNK-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds1

About 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane

5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane (PubChem CID 176752181) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane.

Molecular Properties

Compound Name5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane
PubChem CID176752181
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane
SMILESCC(C)(C)C(C1CC2(CC2)C1)C(C)(C)C
InChIInChI=1S/C15H28/c1-13(2,3)12(14(4,5)6)11-9-15(10-11)7-8-15/h11-12H,7-10H2,1-6H3
InChIKeyCHHBSQAZSIOZNK-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane?
The IUPAC name of 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane (CID 176752181) is 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane.
What is the SMILES notation for 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane?
The canonical SMILES for 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane is CC(C)(C)C(C1CC2(CC2)C1)C(C)(C)C.
What is the InChIKey of 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane?
The InChIKey is CHHBSQAZSIOZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-13(2,3)12(14(4,5)6)11-9-15(10-11)7-8-15/h11-12H,7-10H2,1-6H3.
What are the key properties of 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane?
5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,4,4-tetramethylpentan-3-yl)spiro[2.3]hexane is sourced from PubChem (CID 176752181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).