3,3-dimethyl-1-(oxan-4-yl)butan-2-ol

C11H22O2 — CID 62606524

IUPAC3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
SMILESCC(C)(C)C(O)CC1CCOCC1
InChIInChI=1S/C11H22O2/c1-11(2,3)10(12)8-9-4-6-13-7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyXEAZTLYFANYYFB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds2

About 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol

3,3-dimethyl-1-(oxan-4-yl)butan-2-ol (PubChem CID 62606524) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
PubChem CID62606524
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
SMILESCC(C)(C)C(O)CC1CCOCC1
InChIInChI=1S/C11H22O2/c1-11(2,3)10(12)8-9-4-6-13-7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyXEAZTLYFANYYFB-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol (CID 62606524) is 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol is CC(C)(C)C(O)CC1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol?
The InChIKey is XEAZTLYFANYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-11(2,3)10(12)8-9-4-6-13-7-5-9/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol?
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxan-4-yl)butan-2-ol is sourced from PubChem (CID 62606524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).