1-(1,3-dioxan-2-yl)butan-2-ol

C8H16O3 — CID 130148324

IUPAC1-(1,3-dioxan-2-yl)butan-2-ol
SMILESCCC(O)CC1OCCCO1
InChIInChI=1S/C8H16O3/c1-2-7(9)6-8-10-4-3-5-11-8/h7-9H,2-6H2,1H3
InChIKeySPXPFJDDEDOLOX-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds3

About 1-(1,3-dioxan-2-yl)butan-2-ol

1-(1,3-dioxan-2-yl)butan-2-ol (PubChem CID 130148324) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(1,3-dioxan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1,3-dioxan-2-yl)butan-2-ol
PubChem CID130148324
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(1,3-dioxan-2-yl)butan-2-ol
SMILESCCC(O)CC1OCCCO1
InChIInChI=1S/C8H16O3/c1-2-7(9)6-8-10-4-3-5-11-8/h7-9H,2-6H2,1H3
InChIKeySPXPFJDDEDOLOX-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
CID 157085874
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
1-(oxolan-2-ylmethylsulfanyl)butan-2-ol
CID 103579647
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane
CID 142532435
1-morpholin-2-ylbutan-2-ol
CID 57136466
(3R,4S)-7-(1,3-dioxan-2-yl)-6-methylhept-1-ene-3,4-diol
CID 101487132
tributyl(1,3-dioxan-2-ylmethyl)phosphanium bromide
CID 18705686
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560891

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-2-yl)butan-2-ol?
The IUPAC name of 1-(1,3-dioxan-2-yl)butan-2-ol (CID 130148324) is 1-(1,3-dioxan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(1,3-dioxan-2-yl)butan-2-ol?
The canonical SMILES for 1-(1,3-dioxan-2-yl)butan-2-ol is CCC(O)CC1OCCCO1.
What is the InChIKey of 1-(1,3-dioxan-2-yl)butan-2-ol?
The InChIKey is SPXPFJDDEDOLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-7(9)6-8-10-4-3-5-11-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-(1,3-dioxan-2-yl)butan-2-ol?
1-(1,3-dioxan-2-yl)butan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-2-yl)butan-2-ol is sourced from PubChem (CID 130148324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).