2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H23BO2 — CID 90093321

IUPAC2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CCCC1
InChIInChI=1S/C13H23BO2/c1-10(11-8-6-7-9-11)14-15-12(2,3)13(4,5)16-14/h11H,1,6-9H2,2-5H3
InChIKeyPHDUGUZNXCBEBI-UHFFFAOYSA-N
MW222.14 g/mol
LogP3.36
Rot. Bonds2

About 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90093321) has the molecular formula C13H23BO2 and a molecular weight of 222.14 g/mol. Its IUPAC name is 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90093321
Molecular FormulaC13H23BO2
Molecular Weight222.14 g/mol
Exact Mass222.18
IUPAC Name2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CCCC1
InChIInChI=1S/C13H23BO2/c1-10(11-8-6-7-9-11)14-15-12(2,3)13(4,5)16-14/h11H,1,6-9H2,2-5H3
InChIKeyPHDUGUZNXCBEBI-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90093321) is 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1CCCC1.
What is the InChIKey of 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is PHDUGUZNXCBEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO2/c1-10(11-8-6-7-9-11)14-15-12(2,3)13(4,5)16-14/h11H,1,6-9H2,2-5H3.
What are the key properties of 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 222.14 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90093321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).