5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane

C10H21BO2 — CID 140802598

IUPAC5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane
SMILESCCCCC1(CC)COB(C)OC1
InChIInChI=1S/C10H21BO2/c1-4-6-7-10(5-2)8-12-11(3)13-9-10/h4-9H2,1-3H3
InChIKeyDLSHZMKNMJAXSB-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.74
Rot. Bonds4

About 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane

5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane (PubChem CID 140802598) has the molecular formula C10H21BO2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane
PubChem CID140802598
Molecular FormulaC10H21BO2
Molecular Weight184.09 g/mol
Exact Mass184.16
IUPAC Name5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane
SMILESCCCCC1(CC)COB(C)OC1
InChIInChI=1S/C10H21BO2/c1-4-6-7-10(5-2)8-12-11(3)13-9-10/h4-9H2,1-3H3
InChIKeyDLSHZMKNMJAXSB-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 154088064
2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 154089872
4-butyl-4-ethyloxane
CID 89395620
5,5-dibutyl-1,3-dioxane
CID 139570230
1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
CID 23002154
4-(3-ethyloxetan-3-yl)butylsilane
CID 174117398
2-(5-butyl-5-ethyl-2-methyl-1,3-dioxan-2-yl)butanoate
CID 57359530
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
5-butyl-2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-ethyl-1,3,2-dioxaborinane
CID 87893404
1-butyl-1-(1-ethylcyclohexyl)cyclohexane
CID 173123724
2,2-dibutyl-5,5-diethyl-1,4-dioxane
CID 151443761
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane?
The IUPAC name of 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane (CID 140802598) is 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane.
What is the SMILES notation for 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane?
The canonical SMILES for 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane is CCCCC1(CC)COB(C)OC1.
What is the InChIKey of 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane?
The InChIKey is DLSHZMKNMJAXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2/c1-4-6-7-10(5-2)8-12-11(3)13-9-10/h4-9H2,1-3H3.
What are the key properties of 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane?
5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane has a molecular weight of 184.09 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane is sourced from PubChem (CID 140802598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).