2-butyl-4,6-dimethyloxan-4-ol

C11H22O2 — CID 3019910

IUPAC2-butyl-4,6-dimethyloxan-4-ol
SMILESCCCCC1CC(C)(O)CC(C)O1
InChIInChI=1S/C11H22O2/c1-4-5-6-10-8-11(3,12)7-9(2)13-10/h9-10,12H,4-8H2,1-3H3
InChIKeyGLZDYSFULFXMRT-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.50
Rot. Bonds3

About 2-butyl-4,6-dimethyloxan-4-ol

2-butyl-4,6-dimethyloxan-4-ol (PubChem CID 3019910) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-butyl-4,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name2-butyl-4,6-dimethyloxan-4-ol
PubChem CID3019910
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-butyl-4,6-dimethyloxan-4-ol
SMILESCCCCC1CC(C)(O)CC(C)O1
InChIInChI=1S/C11H22O2/c1-4-5-6-10-8-11(3,12)7-9(2)13-10/h9-10,12H,4-8H2,1-3H3
InChIKeyGLZDYSFULFXMRT-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,6-dimethyloxan-4-ol?
The IUPAC name of 2-butyl-4,6-dimethyloxan-4-ol (CID 3019910) is 2-butyl-4,6-dimethyloxan-4-ol.
What is the SMILES notation for 2-butyl-4,6-dimethyloxan-4-ol?
The canonical SMILES for 2-butyl-4,6-dimethyloxan-4-ol is CCCCC1CC(C)(O)CC(C)O1.
What is the InChIKey of 2-butyl-4,6-dimethyloxan-4-ol?
The InChIKey is GLZDYSFULFXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-10-8-11(3,12)7-9(2)13-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-butyl-4,6-dimethyloxan-4-ol?
2-butyl-4,6-dimethyloxan-4-ol has a molecular weight of 186.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,6-dimethyloxan-4-ol is sourced from PubChem (CID 3019910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).