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

C11H22O2 — CID 63937877

IUPAC3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
SMILESCC(C)(C)CC(O)C1CCOCC1
InChIInChI=1S/C11H22O2/c1-11(2,3)8-10(12)9-4-6-13-7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyXVHBUPIULFASRY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds2

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

3,3-dimethyl-1-(oxan-4-yl)butan-1-ol (PubChem CID 63937877) 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-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
PubChem CID63937877
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
SMILESCC(C)(C)CC(O)C1CCOCC1
InChIInChI=1S/C11H22O2/c1-11(2,3)8-10(12)9-4-6-13-7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyXVHBUPIULFASRY-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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Related Compounds

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CID 63891515
1-(oxepan-4-yl)propan-1-ol
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3-methyl-1-(oxan-4-yl)but-3-en-1-ol
CID 79178251
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986
1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
CID 63357856
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
1-(oxan-4-yl)-2-propylsulfanylethanol
CID 65129416
2-ethyl-1-(oxan-4-yl)butane-1,2-diol
CID 103449502
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944
4-(dimethylamino)-2,2-dimethyl-4-(oxan-4-yl)butanoic acid
CID 116908336
2-(dimethylamino)-2-methyl-1-(oxan-4-yl)butan-1-ol
CID 79064392
(1S)-1-(oxan-4-yl)-2-tri(propan-2-yl)silyloxyethanol
CID 168752161

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(oxan-4-yl)butan-1-ol (CID 63937877) is 3,3-dimethyl-1-(oxan-4-yl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(oxan-4-yl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(oxan-4-yl)butan-1-ol is CC(C)(C)CC(O)C1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-(oxan-4-yl)butan-1-ol?
The InChIKey is XVHBUPIULFASRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-11(2,3)8-10(12)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-1-ol?
3,3-dimethyl-1-(oxan-4-yl)butan-1-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-1-ol is sourced from PubChem (CID 63937877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).