2-butoxy-1,3,2-dioxaborinane

C7H15BO3 — CID 19598588

IUPAC2-butoxy-1,3,2-dioxaborinane
SMILESCCCCOB1OCCCO1
InChIInChI=1S/C7H15BO3/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3
InChIKeyQDELZAKJOLEFSO-UHFFFAOYSA-N
MW158.01 g/mol
LogP1.22
Rot. Bonds4

About 2-butoxy-1,3,2-dioxaborinane

2-butoxy-1,3,2-dioxaborinane (PubChem CID 19598588) has the molecular formula C7H15BO3 and a molecular weight of 158.01 g/mol. Its IUPAC name is 2-butoxy-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-butoxy-1,3,2-dioxaborinane
PubChem CID19598588
Molecular FormulaC7H15BO3
Molecular Weight158.01 g/mol
Exact Mass158.11
IUPAC Name2-butoxy-1,3,2-dioxaborinane
SMILESCCCCOB1OCCCO1
InChIInChI=1S/C7H15BO3/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3
InChIKeyQDELZAKJOLEFSO-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.01
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane
CID 86061964
2-butoxy-1,3-dioxane
CID 13152295
1-butylperoxybutane;cyclooctane
CID 140991302
1-butoxybutane;oxane
CID 22595543
5-methoxy-5-methyl-2-propoxy-1,3,2-dioxaborinane
CID 13157938
2-[2-(1,3,2-dioxaborolan-2-yloxy)ethoxy]ethanol
CID 71348337
2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 175558999
2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane
CID 20587065
1-(1,3,2-dioxaborinan-2-yl)hexyl-trimethylgermane
CID 86067037
1-methoxypentane;oxolane
CID 160798368
9-hexoxy-9-borabicyclo[3.3.1]nonane
CID 86146265
sodium;butyl sulfate;oxacyclododecane
CID 23670051

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,3,2-dioxaborinane?
The IUPAC name of 2-butoxy-1,3,2-dioxaborinane (CID 19598588) is 2-butoxy-1,3,2-dioxaborinane.
What is the SMILES notation for 2-butoxy-1,3,2-dioxaborinane?
The canonical SMILES for 2-butoxy-1,3,2-dioxaborinane is CCCCOB1OCCCO1.
What is the InChIKey of 2-butoxy-1,3,2-dioxaborinane?
The InChIKey is QDELZAKJOLEFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO3/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3.
What are the key properties of 2-butoxy-1,3,2-dioxaborinane?
2-butoxy-1,3,2-dioxaborinane has a molecular weight of 158.01 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3,2-dioxaborinane is sourced from PubChem (CID 19598588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).