(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol

C6H13BO3 — CID 123875514

IUPAC(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol
SMILESCB1OCC(C)(CO)CO1
InChIInChI=1S/C6H13BO3/c1-6(3-8)4-9-7(2)10-5-6/h8H,3-5H2,1-2H3
InChIKeyMQYDCLBILQESQI-UHFFFAOYSA-N
MW143.98 g/mol
LogP0.15
Rot. Bonds1

About (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol

(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol (PubChem CID 123875514) has the molecular formula C6H13BO3 and a molecular weight of 143.98 g/mol. Its IUPAC name is (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol
PubChem CID123875514
Molecular FormulaC6H13BO3
Molecular Weight143.98 g/mol
Exact Mass144.10
IUPAC Name(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol
SMILESCB1OCC(C)(CO)CO1
InChIInChI=1S/C6H13BO3/c1-6(3-8)4-9-7(2)10-5-6/h8H,3-5H2,1-2H3
InChIKeyMQYDCLBILQESQI-UHFFFAOYSA-N
XLogP0.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.98
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-2-(4-methylphenyl)-1,3,2-dioxaborinan-5-yl]methanol
CID 100941336
(3-methyloxetan-3-yl)methanol;oxetan-2-ol
CID 89400317
(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
CID 54203877
5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane
CID 140802598
[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424095
5-(hydroxymethyl)-5-methyloxan-2-one
CID 172868556
[6-(hydroxymethyl)-2-methyl-1,3,2-dioxaborepan-5-yl]methanol
CID 123206771
[2-(1-adamantyl)-5-methyl-1,3-dioxan-5-yl]methanol
CID 177083692
(1-methylcyclododecyl)methanol
CID 70130772
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
3-hydroxy-6-(hydroxymethyl)-6-methyl-3-(2-methylsulfanylethyl)-1,4-dioxepan-2-one
CID 59514944
(4-methylpiperidin-4-yl)methanol
CID 22507737

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol?
The IUPAC name of (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol (CID 123875514) is (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol.
What is the SMILES notation for (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol?
The canonical SMILES for (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol is CB1OCC(C)(CO)CO1.
What is the InChIKey of (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol?
The InChIKey is MQYDCLBILQESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO3/c1-6(3-8)4-9-7(2)10-5-6/h8H,3-5H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol?
(2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol has a molecular weight of 143.98 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3,2-dioxaborinan-5-yl)methanol is sourced from PubChem (CID 123875514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).