6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane

C11H20O2 — CID 58969676

IUPAC6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane
SMILESCCC(C)OC1C(C)OC12CC2C
InChIInChI=1S/C11H20O2/c1-5-8(3)12-10-9(4)13-11(10)6-7(11)2/h7-10H,5-6H2,1-4H3
InChIKeyKYFHCVVVQKUVFS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds3

About 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane

6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane (PubChem CID 58969676) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane.

Molecular Properties

Compound Name6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane
PubChem CID58969676
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane
SMILESCCC(C)OC1C(C)OC12CC2C
InChIInChI=1S/C11H20O2/c1-5-8(3)12-10-9(4)13-11(10)6-7(11)2/h7-10H,5-6H2,1-4H3
InChIKeyKYFHCVVVQKUVFS-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane?
The IUPAC name of 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane (CID 58969676) is 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane.
What is the SMILES notation for 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane?
The canonical SMILES for 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane is CCC(C)OC1C(C)OC12CC2C.
What is the InChIKey of 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane?
The InChIKey is KYFHCVVVQKUVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-8(3)12-10-9(4)13-11(10)6-7(11)2/h7-10H,5-6H2,1-4H3.
What are the key properties of 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane?
6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane has a molecular weight of 184.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-2,5-dimethyl-4-oxaspiro[2.3]hexane is sourced from PubChem (CID 58969676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).