2-pentyl-1,3,2-dioxaborinane

C8H17BO2 — CID 15061382

IUPAC2-pentyl-1,3,2-dioxaborinane
SMILESCCCCCB1OCCCO1
InChIInChI=1S/C8H17BO2/c1-2-3-4-6-9-10-7-5-8-11-9/h2-8H2,1H3
InChIKeyBNGJHJNFQCQENI-UHFFFAOYSA-N
MW156.03 g/mol
LogP2.10
Rot. Bonds4

About 2-pentyl-1,3,2-dioxaborinane

2-pentyl-1,3,2-dioxaborinane (PubChem CID 15061382) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is 2-pentyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-pentyl-1,3,2-dioxaborinane
PubChem CID15061382
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Name2-pentyl-1,3,2-dioxaborinane
SMILESCCCCCB1OCCCO1
InChIInChI=1S/C8H17BO2/c1-2-3-4-6-9-10-7-5-8-11-9/h2-8H2,1H3
InChIKeyBNGJHJNFQCQENI-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-Butyl-1,3,2-dioxaborinane
CID 286985
2-Ethyl-1,3,2-dioxaborinane
CID 642683
2-Isopropyl-1,3,2-dioxaborinane
CID 5326212
2-Methyl-1,3,2-dioxaborinane
CID 11115990
2-Cyclohexyl-1,3,2-dioxaborinane
CID 12841190
5,5-Dimethyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157918
5-(Methoxymethyl)-5-methyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157929
2-(1-Methylpropyl)-1,3,2-dioxaborinane
CID 13507618
(r)-2-(2-Butyl)-1,3,2-dioxaborinane
CID 13507619
1,3,2-Dioxaborinane, 2-(pentyloxy)-
CID 575438
1-(1,3,2-Dioxaborinan-2-yl)hexyl-trimethylgermane
CID 86067037
1-(1,3,2-Dioxaborinan-2-yl)heptyl-trimethylgermane
CID 86067040

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,3,2-dioxaborinane?
The IUPAC name of 2-pentyl-1,3,2-dioxaborinane (CID 15061382) is 2-pentyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-pentyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-pentyl-1,3,2-dioxaborinane is CCCCCB1OCCCO1.
What is the InChIKey of 2-pentyl-1,3,2-dioxaborinane?
The InChIKey is BNGJHJNFQCQENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2/c1-2-3-4-6-9-10-7-5-8-11-9/h2-8H2,1H3.
What are the key properties of 2-pentyl-1,3,2-dioxaborinane?
2-pentyl-1,3,2-dioxaborinane has a molecular weight of 156.03 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,3,2-dioxaborinane is sourced from PubChem (CID 15061382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).