2,6-dimethylspiro[2.3]hexane

C8H14 — CID 90957864

IUPAC2,6-dimethylspiro[2.3]hexane
SMILESCC1CCC12CC2C
InChIInChI=1S/C8H14/c1-6-3-4-8(6)5-7(8)2/h6-7H,3-5H2,1-2H3
InChIKeyHTDDUILNBAAMRO-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds

About 2,6-dimethylspiro[2.3]hexane

2,6-dimethylspiro[2.3]hexane (PubChem CID 90957864) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2,6-dimethylspiro[2.3]hexane.

Molecular Properties

Compound Name2,6-dimethylspiro[2.3]hexane
PubChem CID90957864
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name2,6-dimethylspiro[2.3]hexane
SMILESCC1CCC12CC2C
InChIInChI=1S/C8H14/c1-6-3-4-8(6)5-7(8)2/h6-7H,3-5H2,1-2H3
InChIKeyHTDDUILNBAAMRO-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylspiro[2.3]hexane?
The IUPAC name of 2,6-dimethylspiro[2.3]hexane (CID 90957864) is 2,6-dimethylspiro[2.3]hexane.
What is the SMILES notation for 2,6-dimethylspiro[2.3]hexane?
The canonical SMILES for 2,6-dimethylspiro[2.3]hexane is CC1CCC12CC2C.
What is the InChIKey of 2,6-dimethylspiro[2.3]hexane?
The InChIKey is HTDDUILNBAAMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6-3-4-8(6)5-7(8)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethylspiro[2.3]hexane?
2,6-dimethylspiro[2.3]hexane has a molecular weight of 110.20 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylspiro[2.3]hexane is sourced from PubChem (CID 90957864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).